2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol

C247H453F60N13O22S2 — CID 162247431

IUPAC2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol
SMILESCC(=O)c1sc(C(C)C)nc1C.CC(C)C(C(C)C)C(F)(F)F.CC(C)C(C(F)(F)F)C(F)(F)F.CC(C)C(C)(C(F)(F)F)C(F)(F)F.CC(C)C(C)(C)C#N.CC(C)C(C)(C)CC(F)(F)F.CC(C)C(C)C(F)(F)C#N.CC(C)C(C)C(F)(F)F.CC(C)CC#N.CC(C)CC(C)(C)CO.CC(C)CC(C)(F)F.CC(C)CC(F)(F)C#N.CC(C)CC(F)(F)CO.CC(C)CC(O)(C(F)(F)F)C(F)(F)F.CC(C)CC(O)CO.CC(C)CCC#N.CC(C)CC[C@@H](O)C(F)(F)F.CC(C)CC[C@H](O)C(F)(F)F.CC(C)C[C@@H](O)C(F)(F)F.CC(C)C[C@@H](O)CC(F)(F)F.CC(C)C[C@@H](O)CO.CC(C)C[C@H](CO)C(C)C.CC(C)C[C@H](O)C(F)(F)F.CC(C)C[C@H](O)CC(F)(F)F.CC(C)C[C@H](O)CO.CC(C)[C@@H](C)[C@H](O)C(F)(F)F.CC(C)[C@H](C)C(F)(F)F.CC(C)c1c(C#N)cnn1C.CC(C)c1cccc(F)c1.CCC(C)C(CO)C(C)C.CCCC(CO)C(C)C.CC[C@H](C)[C@@H](CO)C(C)C.CCn1nccc1C(C)C.Cc1cc(C(C)C)no1.Cc1csc(C(C)C)n1
InChIInChI=1S/C9H11F.C9H13NOS.3C9H20O.2C8H15F3.C8H11N3.C8H14N2.2C8H18O.C7H10F6O.C7H10F6.5C7H13F3O.C7H11F2N.C7H11NO.C7H11NS.C7H13N.C6H8F6.2C6H11F3O.2C6H11F3.C6H9F2N.C6H12F2O.C6H12F2.C6H11N.3C6H14O2.C5H9N/c1-7(2)8-4-3-5-9(10)6-8;1-5(2)9-10-6(3)8(12-9)7(4)11;1-7(2)5-9(6-10)8(3)4;2*1-5-8(4)9(6-10)7(2)3;1-6(2)7(3,4)5-8(9,10)11;1-5(2)7(6(3)4)8(9,10)11;1-6(2)8-7(4-9)5-10-11(8)3;1-4-10-8(7(2)3)5-6-9-10;1-7(2)5-8(3,4)6-9;1-4-5-8(6-9)7(2)3;1-4(2)3-5(14,6(8,9)10)7(11,12)13;1-4(2)5(3,6(8,9)10)7(11,12)13;2*1-5(2)3-6(11)4-7(8,9)10;2*1-5(2)3-4-6(11)7(8,9)10;1-4(2)5(3)6(11)7(8,9)10;1-5(2)6(3)7(8,9)4-10;1-5(2)7-4-6(3)9-8-7;1-5(2)7-8-6(3)4-9-7;1-6(2)7(3,4)5-8;1-3(2)4(5(7,8)9)6(10,11)12;2*1-4(2)3-5(10)6(7,8)9;2*1-4(2)5(3)6(7,8)9;2*1-5(2)3-6(7,8)4-9;1-5(2)4-6(3,7)8;1-6(2)4-3-5-7;3*1-5(2)3-6(8)4-7;1-5(2)3-4-6/h3-7H,1-2H3;5H,1-4H3;3*7-10H,5-6H2,1-4H3;6H,5H2,1-4H3;5-7H,1-4H3;5-6H,1-3H3;5-7H,4H2,1-3H3;7,9H,5-6H2,1-4H3;7-9H,4-6H2,1-3H3;4,14H,3H2,1-2H3;4H,1-3H3;4*5-6,11H,3-4H2,1-2H3;4-6,11H,1-3H3;5-6H,1-3H3;2*4-5H,1-3H3;6H,1-4H3;3-4H,1-2H3;2*4-5,10H,3H2,1-2H3;2*4-5H,1-3H3;5H,3H2,1-2H3;5,9H,3-4H2,1-2H3;5H,4H2,1-3H3;6H,3-4H2,1-2H3;3*5-8H,3-4H2,1-2H3;5H,3H2,1-2H3/t;;9-;8-,9-;;;;;;;;;;4*6-;5-,6+;;;;;;3*5-;;;;;;2*6-;;/m..10.........10101.....100.....10../s1
InChIKeyZXNIYHDZNFFMMV-ZDKDLUALSA-N
MW5161.42 g/mol
LogP78.99
Rot. Bonds77

About 2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol

2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol (PubChem CID 162247431) has the molecular formula C247H453F60N13O22S2 and a molecular weight of 5161.42 g/mol. Its IUPAC name is 2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol
PubChem CID162247431
Molecular FormulaC247H453F60N13O22S2
Molecular Weight5161.42 g/mol
Exact Mass5158.32
IUPAC Name2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol
SMILESCC(=O)c1sc(C(C)C)nc1C.CC(C)C(C(C)C)C(F)(F)F.CC(C)C(C(F)(F)F)C(F)(F)F.CC(C)C(C)(C(F)(F)F)C(F)(F)F.CC(C)C(C)(C)C#N.CC(C)C(C)(C)CC(F)(F)F.CC(C)C(C)C(F)(F)C#N.CC(C)C(C)C(F)(F)F.CC(C)CC#N.CC(C)CC(C)(C)CO.CC(C)CC(C)(F)F.CC(C)CC(F)(F)C#N.CC(C)CC(F)(F)CO.CC(C)CC(O)(C(F)(F)F)C(F)(F)F.CC(C)CC(O)CO.CC(C)CCC#N.CC(C)CC[C@@H](O)C(F)(F)F.CC(C)CC[C@H](O)C(F)(F)F.CC(C)C[C@@H](O)C(F)(F)F.CC(C)C[C@@H](O)CC(F)(F)F.CC(C)C[C@@H](O)CO.CC(C)C[C@H](CO)C(C)C.CC(C)C[C@H](O)C(F)(F)F.CC(C)C[C@H](O)CC(F)(F)F.CC(C)C[C@H](O)CO.CC(C)[C@@H](C)[C@H](O)C(F)(F)F.CC(C)[C@H](C)C(F)(F)F.CC(C)c1c(C#N)cnn1C.CC(C)c1cccc(F)c1.CCC(C)C(CO)C(C)C.CCCC(CO)C(C)C.CC[C@H](C)[C@@H](CO)C(C)C.CCn1nccc1C(C)C.Cc1cc(C(C)C)no1.Cc1csc(C(C)C)n1
InChIInChI=1S/C9H11F.C9H13NOS.3C9H20O.2C8H15F3.C8H11N3.C8H14N2.2C8H18O.C7H10F6O.C7H10F6.5C7H13F3O.C7H11F2N.C7H11NO.C7H11NS.C7H13N.C6H8F6.2C6H11F3O.2C6H11F3.C6H9F2N.C6H12F2O.C6H12F2.C6H11N.3C6H14O2.C5H9N/c1-7(2)8-4-3-5-9(10)6-8;1-5(2)9-10-6(3)8(12-9)7(4)11;1-7(2)5-9(6-10)8(3)4;2*1-5-8(4)9(6-10)7(2)3;1-6(2)7(3,4)5-8(9,10)11;1-5(2)7(6(3)4)8(9,10)11;1-6(2)8-7(4-9)5-10-11(8)3;1-4-10-8(7(2)3)5-6-9-10;1-7(2)5-8(3,4)6-9;1-4-5-8(6-9)7(2)3;1-4(2)3-5(14,6(8,9)10)7(11,12)13;1-4(2)5(3,6(8,9)10)7(11,12)13;2*1-5(2)3-6(11)4-7(8,9)10;2*1-5(2)3-4-6(11)7(8,9)10;1-4(2)5(3)6(11)7(8,9)10;1-5(2)6(3)7(8,9)4-10;1-5(2)7-4-6(3)9-8-7;1-5(2)7-8-6(3)4-9-7;1-6(2)7(3,4)5-8;1-3(2)4(5(7,8)9)6(10,11)12;2*1-4(2)3-5(10)6(7,8)9;2*1-4(2)5(3)6(7,8)9;2*1-5(2)3-6(7,8)4-9;1-5(2)4-6(3,7)8;1-6(2)4-3-5-7;3*1-5(2)3-6(8)4-7;1-5(2)3-4-6/h3-7H,1-2H3;5H,1-4H3;3*7-10H,5-6H2,1-4H3;6H,5H2,1-4H3;5-7H,1-4H3;5-6H,1-3H3;5-7H,4H2,1-3H3;7,9H,5-6H2,1-4H3;7-9H,4-6H2,1-3H3;4,14H,3H2,1-2H3;4H,1-3H3;4*5-6,11H,3-4H2,1-2H3;4-6,11H,1-3H3;5-6H,1-3H3;2*4-5H,1-3H3;6H,1-4H3;3-4H,1-2H3;2*4-5,10H,3H2,1-2H3;2*4-5H,1-3H3;5H,3H2,1-2H3;5,9H,3-4H2,1-2H3;5H,4H2,1-3H3;6H,3-4H2,1-2H3;3*5-8H,3-4H2,1-2H3;5H,3H2,1-2H3/t;;9-;8-,9-;;;;;;;;;;4*6-;5-,6+;;;;;;3*5-;;;;;;2*6-;;/m..10.........10101.....100.....10../s1
InChIKeyZXNIYHDZNFFMMV-ZDKDLUALSA-N
XLogP78.99
TPSA651.86 Ų
H-Bond Donors20
H-Bond Acceptors37
Rotatable Bonds77
Heavy Atoms344
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005161.42
LogP ≤ 578.99
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1037

Analyze 2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol?
The IUPAC name of 2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol (CID 162247431) is 2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol.
What is the SMILES notation for 2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol?
The canonical SMILES for 2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol is CC(=O)c1sc(C(C)C)nc1C.CC(C)C(C(C)C)C(F)(F)F.CC(C)C(C(F)(F)F)C(F)(F)F.CC(C)C(C)(C(F)(F)F)C(F)(F)F.CC(C)C(C)(C)C#N.CC(C)C(C)(C)CC(F)(F)F.CC(C)C(C)C(F)(F)C#N.CC(C)C(C)C(F)(F)F.CC(C)CC#N.CC(C)CC(C)(C)CO.CC(C)CC(C)(F)F.CC(C)CC(F)(F)C#N.CC(C)CC(F)(F)CO.CC(C)CC(O)(C(F)(F)F)C(F)(F)F.CC(C)CC(O)CO.CC(C)CCC#N.CC(C)CC[C@@H](O)C(F)(F)F.CC(C)CC[C@H](O)C(F)(F)F.CC(C)C[C@@H](O)C(F)(F)F.CC(C)C[C@@H](O)CC(F)(F)F.CC(C)C[C@@H](O)CO.CC(C)C[C@H](CO)C(C)C.CC(C)C[C@H](O)C(F)(F)F.CC(C)C[C@H](O)CC(F)(F)F.CC(C)C[C@H](O)CO.CC(C)[C@@H](C)[C@H](O)C(F)(F)F.CC(C)[C@H](C)C(F)(F)F.CC(C)c1c(C#N)cnn1C.CC(C)c1cccc(F)c1.CCC(C)C(CO)C(C)C.CCCC(CO)C(C)C.CC[C@H](C)[C@@H](CO)C(C)C.CCn1nccc1C(C)C.Cc1cc(C(C)C)no1.Cc1csc(C(C)C)n1.
What is the InChIKey of 2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol?
The InChIKey is ZXNIYHDZNFFMMV-ZDKDLUALSA-N. The full InChI is InChI=1S/C9H11F.C9H13NOS.3C9H20O.2C8H15F3.C8H11N3.C8H14N2.2C8H18O.C7H10F6O.C7H10F6.5C7H13F3O.C7H11F2N.C7H11NO.C7H11NS.C7H13N.C6H8F6.2C6H11F3O.2C6H11F3.C6H9F2N.C6H12F2O.C6H12F2.C6H11N.3C6H14O2.C5H9N/c1-7(2)8-4-3-5-9(10)6-8;1-5(2)9-10-6(3)8(12-9)7(4)11;1-7(2)5-9(6-10)8(3)4;2*1-5-8(4)9(6-10)7(2)3;1-6(2)7(3,4)5-8(9,10)11;1-5(2)7(6(3)4)8(9,10)11;1-6(2)8-7(4-9)5-10-11(8)3;1-4-10-8(7(2)3)5-6-9-10;1-7(2)5-8(3,4)6-9;1-4-5-8(6-9)7(2)3;1-4(2)3-5(14,6(8,9)10)7(11,12)13;1-4(2)5(3,6(8,9)10)7(11,12)13;2*1-5(2)3-6(11)4-7(8,9)10;2*1-5(2)3-4-6(11)7(8,9)10;1-4(2)5(3)6(11)7(8,9)10;1-5(2)6(3)7(8,9)4-10;1-5(2)7-4-6(3)9-8-7;1-5(2)7-8-6(3)4-9-7;1-6(2)7(3,4)5-8;1-3(2)4(5(7,8)9)6(10,11)12;2*1-4(2)3-5(10)6(7,8)9;2*1-4(2)5(3)6(7,8)9;2*1-5(2)3-6(7,8)4-9;1-5(2)4-6(3,7)8;1-6(2)4-3-5-7;3*1-5(2)3-6(8)4-7;1-5(2)3-4-6/h3-7H,1-2H3;5H,1-4H3;3*7-10H,5-6H2,1-4H3;6H,5H2,1-4H3;5-7H,1-4H3;5-6H,1-3H3;5-7H,4H2,1-3H3;7,9H,5-6H2,1-4H3;7-9H,4-6H2,1-3H3;4,14H,3H2,1-2H3;4H,1-3H3;4*5-6,11H,3-4H2,1-2H3;4-6,11H,1-3H3;5-6H,1-3H3;2*4-5H,1-3H3;6H,1-4H3;3-4H,1-2H3;2*4-5,10H,3H2,1-2H3;2*4-5H,1-3H3;5H,3H2,1-2H3;5,9H,3-4H2,1-2H3;5H,4H2,1-3H3;6H,3-4H2,1-2H3;3*5-8H,3-4H2,1-2H3;5H,3H2,1-2H3/t;;9-;8-,9-;;;;;;;;;;4*6-;5-,6+;;;;;;3*5-;;;;;;2*6-;;/m..10.........10101.....100.....10../s1.
What are the key properties of 2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol?
2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol has a molecular weight of 5161.42 g/mol, XLogP of 78.99, 77 rotatable bonds, 20 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,4-dimethylpentanenitrile;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentanenitrile;2,2-difluoro-4-methylpentan-1-ol;2,4-dimethyl-3-(trifluoromethyl)pentane;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-3-propan-2-ylbenzene;3-methylbutanenitrile;(2S)-4-methylpentane-1,2-diol;(2R)-4-methylpentane-1,2-diol;4-methylpentane-1,2-diol;4-methylpentanenitrile;5-methyl-3-propan-2-yl-1,2-oxazole;(2S,3S)-3-methyl-2-propan-2-ylpentan-1-ol;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-propan-2-ylpentan-1-ol;1-methyl-5-propan-2-ylpyrazole-4-carbonitrile;4-methyl-2-propan-2-yl-1,3-thiazole;1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanone;2-propan-2-ylpentan-1-ol;1,1,1-trifluoro-2,3-dimethylbutane;(2S)-1,1,1-trifluoro-2,3-dimethylbutane;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;1,1,1-trifluoro-2,3-dimethyl-2-(trifluoromethyl)butane;(2R)-1,1,1-trifluoro-5-methylhexan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(3S)-1,1,1-trifluoro-5-methylhexan-3-ol;(3R)-1,1,1-trifluoro-5-methylhexan-3-ol;(2R)-1,1,1-trifluoro-4-methylpentan-2-ol;(2S)-1,1,1-trifluoro-4-methylpentan-2-ol;1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)butane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;1,1,1-trifluoro-3,3,4-trimethylpentane;2,2,3-trimethylbutanenitrile;2,2,4-trimethylpentan-1-ol is sourced from PubChem (CID 162247431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).