3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol

C172H333F51N2O25 — CID 159024666

IUPAC3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol
SMILESCC(C)C(C(=O)O)C(F)(F)F.CC(C)C(C)(C)CO.CC(C)C(C)C(F)(F)C(=O)CO.CC(C)C(C)CO.CC(C)C(CC(=O)O)C(C)C.CC(C)C(CO)CC(F)(F)F.CC(C)CC(C)(C)CO.CC(C)CC(C)(F)F.CC(C)CC(CCCO)C(F)(F)F.CC(C)CC(CO)C(C)C.CC(C)CC(F)(F)CN.CC(C)CC(F)(F)CO.CC(C)CC(O)(C(F)(F)F)C(F)(F)F.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)C(F)(F)F.CC(C)C[C@H](O)CC(F)(F)F.CC(C)OC(=O)C(F)(F)C(C)C(C)C.CC(C)[C@@H](C)[C@H](C)C(F)(F)F.CC(C)[C@@H](O)C(F)(F)F.CC[C@H](CO)C(C)C.CNC(=O)C(F)(F)C(C)C(C)C
InChIInChI=1S/C10H18F2O2.C9H17F3O.C9H18O2.C9H20O.C8H15F3.C8H15F2NO.C8H14F2O2.C8H18O.C7H10F6O.5C7H13F3O.2C7H16O.C6H9F3O2.2C6H11F3O.C6H13F2N.C6H12F2O.C6H12F2.C6H14O.C5H9F3O/c1-6(2)8(5)10(11,12)9(13)14-7(3)4;1-7(2)6-8(4-3-5-13)9(10,11)12;1-6(2)8(7(3)4)5-9(10)11;1-7(2)5-9(6-10)8(3)4;1-5(2)6(3)7(4)8(9,10)11;1-5(2)6(3)8(9,10)7(12)11-4;1-5(2)6(3)8(9,10)7(12)4-11;1-7(2)5-8(3,4)6-9;1-4(2)3-5(14,6(8,9)10)7(11,12)13;1-5(2)6(4-11)3-7(8,9)10;2*1-5(2)3-6(11)4-7(8,9)10;2*1-5(2)3-4-6(11)7(8,9)10;1-6(2)7(3,4)5-8;1-4-7(5-8)6(2)3;1-3(2)4(5(10)11)6(7,8)9;2*1-4(2)3-5(10)6(7,8)9;2*1-5(2)3-6(7,8)4-9;1-5(2)4-6(3,7)8;1-5(2)6(3)4-7;1-3(2)4(9)5(6,7)8/h6-8H,1-5H3;7-8,13H,3-6H2,1-2H3;6-8H,5H2,1-4H3,(H,10,11);7-10H,5-6H2,1-4H3;5-7H,1-4H3;5-6H,1-4H3,(H,11,12);5-6,11H,4H2,1-3H3;7,9H,5-6H2,1-4H3;4,14H,3H2,1-2H3;5*5-6,11H,3-4H2,1-2H3;6,8H,5H2,1-4H3;6-8H,4-5H2,1-3H3;3-4H,1-2H3,(H,10,11);2*4-5,10H,3H2,1-2H3;5H,3-4,9H2,1-2H3;5,9H,3-4H2,1-2H3;5H,4H2,1-3H3;5-7H,4H2,1-3H3;3-4,9H,1-2H3/t;;;;6-,7+;;;;;;4*6-;;7-;;2*5-;;;;;4-/m....1.....1010.1.10....1/s1
InChIKeyJUDCTJNRTIEFRP-YIBOIWPSSA-N
MW3798.44 g/mol
LogP51.62
Rot. Bonds68

About 3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol

3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol (PubChem CID 159024666) has the molecular formula C172H333F51N2O25 and a molecular weight of 3798.44 g/mol. Its IUPAC name is 3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol
PubChem CID159024666
Molecular FormulaC172H333F51N2O25
Molecular Weight3798.44 g/mol
Exact Mass3796.40
IUPAC Name3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol
SMILESCC(C)C(C(=O)O)C(F)(F)F.CC(C)C(C)(C)CO.CC(C)C(C)C(F)(F)C(=O)CO.CC(C)C(C)CO.CC(C)C(CC(=O)O)C(C)C.CC(C)C(CO)CC(F)(F)F.CC(C)CC(C)(C)CO.CC(C)CC(C)(F)F.CC(C)CC(CCCO)C(F)(F)F.CC(C)CC(CO)C(C)C.CC(C)CC(F)(F)CN.CC(C)CC(F)(F)CO.CC(C)CC(O)(C(F)(F)F)C(F)(F)F.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)C(F)(F)F.CC(C)C[C@H](O)CC(F)(F)F.CC(C)OC(=O)C(F)(F)C(C)C(C)C.CC(C)[C@@H](C)[C@H](C)C(F)(F)F.CC(C)[C@@H](O)C(F)(F)F.CC[C@H](CO)C(C)C.CNC(=O)C(F)(F)C(C)C(C)C
InChIInChI=1S/C10H18F2O2.C9H17F3O.C9H18O2.C9H20O.C8H15F3.C8H15F2NO.C8H14F2O2.C8H18O.C7H10F6O.5C7H13F3O.2C7H16O.C6H9F3O2.2C6H11F3O.C6H13F2N.C6H12F2O.C6H12F2.C6H14O.C5H9F3O/c1-6(2)8(5)10(11,12)9(13)14-7(3)4;1-7(2)6-8(4-3-5-13)9(10,11)12;1-6(2)8(7(3)4)5-9(10)11;1-7(2)5-9(6-10)8(3)4;1-5(2)6(3)7(4)8(9,10)11;1-5(2)6(3)8(9,10)7(12)11-4;1-5(2)6(3)8(9,10)7(12)4-11;1-7(2)5-8(3,4)6-9;1-4(2)3-5(14,6(8,9)10)7(11,12)13;1-5(2)6(4-11)3-7(8,9)10;2*1-5(2)3-6(11)4-7(8,9)10;2*1-5(2)3-4-6(11)7(8,9)10;1-6(2)7(3,4)5-8;1-4-7(5-8)6(2)3;1-3(2)4(5(10)11)6(7,8)9;2*1-4(2)3-5(10)6(7,8)9;2*1-5(2)3-6(7,8)4-9;1-5(2)4-6(3,7)8;1-5(2)6(3)4-7;1-3(2)4(9)5(6,7)8/h6-8H,1-5H3;7-8,13H,3-6H2,1-2H3;6-8H,5H2,1-4H3,(H,10,11);7-10H,5-6H2,1-4H3;5-7H,1-4H3;5-6H,1-4H3,(H,11,12);5-6,11H,4H2,1-3H3;7,9H,5-6H2,1-4H3;4,14H,3H2,1-2H3;5*5-6,11H,3-4H2,1-2H3;6,8H,5H2,1-4H3;6-8H,4-5H2,1-3H3;3-4H,1-2H3,(H,10,11);2*4-5,10H,3H2,1-2H3;5H,3-4,9H2,1-2H3;5,9H,3-4H2,1-2H3;5H,4H2,1-3H3;5-7H,4H2,1-3H3;3-4,9H,1-2H3/t;;;;6-,7+;;;;;;4*6-;;7-;;2*5-;;;;;4-/m....1.....1010.1.10....1/s1
InChIKeyJUDCTJNRTIEFRP-YIBOIWPSSA-N
XLogP51.62
TPSA517.00 Ų
H-Bond Donors21
H-Bond Acceptors24
Rotatable Bonds68
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003798.44
LogP ≤ 551.62
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1024

Analyze 3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;(2S)-2-ethyl-3-methylbutan-1-ol;methyl 2,2-difluoro-3,4-dimethylpentanoate;4-methyl-3-propan-2-ylpentanoic acid;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2S,3R)-1,1,1-trifluoro-3,4-dimethylpentan-2-ol;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;2,2,4-trimethylpentan-1-ol
CID 158478158
CID 158663073
CID 158663073
CID 159169786
CID 159169786
tert-butyl 3-[(2,2-difluoro-4-methylpentanoyl)amino]propanoate;4,4-difluoro-6-methylheptanoic acid;2,2-difluoro-5-methylhexanoic acid;2,2-difluoro-4-methylpentanamide;2,2-difluoro-4-methylpentanoic acid;2,2-difluoro-N,3,4-trimethylpentanamide;(2S)-2,3-dimethylbutanoic acid;9-methyldecanoic acid;methyl 4,4-difluoro-6-methylheptanoate;methyl 6-methyl-4-oxoheptanoate;7-methyloctanoic acid;bis(4-methyl-3-propan-2-ylpentanoic acid);6-methyl-4-(trifluoromethyl)heptanoic acid;4-methyl-3-(trifluoromethyl)pentanoic acid;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(3S)-5,5,5-trifluoro-3-propan-2-ylpentanoic acid;(3R)-5,5,5-trifluoro-3-propan-2-ylpentanoic acid;2,2,4-trimethylpentan-1-ol
CID 159719366
2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;(2S)-2,3-dimethylbutanoic acid;9-methyldecanoic acid;methyl 2,2-difluoro-3,4-dimethylpentanoate;7-methyloctanoic acid;bis(4-methyl-3-propan-2-ylpentanoic acid);3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;2,2,4-trimethylpentan-1-ol
CID 160147042
2,2-difluoro-5-methylhexanoic acid;2,2-difluoro-4-methylpentanamide;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentanoic acid;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;(2S)-2,3-dimethylbutanoic acid;9-methyldecanoic acid;methyl 4,4-difluoro-6-methylheptanoate;methyl 6-methyl-4-oxoheptanoate;7-methyloctanoic acid;bis(4-methyl-3-propan-2-ylpentanoic acid);6-methyl-4-(trifluoromethyl)heptanoic acid;4-methyl-3-(trifluoromethyl)pentanoic acid;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(3S)-5,5,5-trifluoro-3-propan-2-ylpentanoic acid;(3R)-5,5,5-trifluoro-3-propan-2-ylpentanoic acid;2,2,4-trimethylpentan-1-ol
CID 161376273
CID 162142372
CID 162142372

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol?
The IUPAC name of 3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol (CID 159024666) is 3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol.
What is the SMILES notation for 3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol?
The canonical SMILES for 3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol is CC(C)C(C(=O)O)C(F)(F)F.CC(C)C(C)(C)CO.CC(C)C(C)C(F)(F)C(=O)CO.CC(C)C(C)CO.CC(C)C(CC(=O)O)C(C)C.CC(C)C(CO)CC(F)(F)F.CC(C)CC(C)(C)CO.CC(C)CC(C)(F)F.CC(C)CC(CCCO)C(F)(F)F.CC(C)CC(CO)C(C)C.CC(C)CC(F)(F)CN.CC(C)CC(F)(F)CO.CC(C)CC(O)(C(F)(F)F)C(F)(F)F.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)C(F)(F)F.CC(C)C[C@H](O)CC(F)(F)F.CC(C)OC(=O)C(F)(F)C(C)C(C)C.CC(C)[C@@H](C)[C@H](C)C(F)(F)F.CC(C)[C@@H](O)C(F)(F)F.CC[C@H](CO)C(C)C.CNC(=O)C(F)(F)C(C)C(C)C.
What is the InChIKey of 3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol?
The InChIKey is JUDCTJNRTIEFRP-YIBOIWPSSA-N. The full InChI is InChI=1S/C10H18F2O2.C9H17F3O.C9H18O2.C9H20O.C8H15F3.C8H15F2NO.C8H14F2O2.C8H18O.C7H10F6O.5C7H13F3O.2C7H16O.C6H9F3O2.2C6H11F3O.C6H13F2N.C6H12F2O.C6H12F2.C6H14O.C5H9F3O/c1-6(2)8(5)10(11,12)9(13)14-7(3)4;1-7(2)6-8(4-3-5-13)9(10,11)12;1-6(2)8(7(3)4)5-9(10)11;1-7(2)5-9(6-10)8(3)4;1-5(2)6(3)7(4)8(9,10)11;1-5(2)6(3)8(9,10)7(12)11-4;1-5(2)6(3)8(9,10)7(12)4-11;1-7(2)5-8(3,4)6-9;1-4(2)3-5(14,6(8,9)10)7(11,12)13;1-5(2)6(4-11)3-7(8,9)10;2*1-5(2)3-6(11)4-7(8,9)10;2*1-5(2)3-4-6(11)7(8,9)10;1-6(2)7(3,4)5-8;1-4-7(5-8)6(2)3;1-3(2)4(5(10)11)6(7,8)9;2*1-4(2)3-5(10)6(7,8)9;2*1-5(2)3-6(7,8)4-9;1-5(2)4-6(3,7)8;1-5(2)6(3)4-7;1-3(2)4(9)5(6,7)8/h6-8H,1-5H3;7-8,13H,3-6H2,1-2H3;6-8H,5H2,1-4H3,(H,10,11);7-10H,5-6H2,1-4H3;5-7H,1-4H3;5-6H,1-4H3,(H,11,12);5-6,11H,4H2,1-3H3;7,9H,5-6H2,1-4H3;4,14H,3H2,1-2H3;5*5-6,11H,3-4H2,1-2H3;6,8H,5H2,1-4H3;6-8H,4-5H2,1-3H3;3-4H,1-2H3,(H,10,11);2*4-5,10H,3H2,1-2H3;5H,3-4,9H2,1-2H3;5,9H,3-4H2,1-2H3;5H,4H2,1-3H3;5-7H,4H2,1-3H3;3-4,9H,1-2H3/t;;;;6-,7+;;;;;;4*6-;;7-;;2*5-;;;;;4-/m....1.....1010.1.10....1/s1.
What are the key properties of 3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol?
3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol has a molecular weight of 3798.44 g/mol, XLogP of 51.62, 68 rotatable bonds, 21 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-hydroxy-4,5-dimethylhexan-2-one;2,2-difluoro-4-methylpentan-1-amine;2,2-difluoro-4-methylpentane;2,2-difluoro-4-methylpentan-1-ol;2,2-difluoro-N,3,4-trimethylpentanamide;2,3-dimethylbutan-1-ol;(2S)-2-ethyl-3-methylbutan-1-ol;4-methyl-3-propan-2-ylpentanoic acid;(2S)-4-methyl-2-propan-2-ylpentan-1-ol;3-methyl-2-(trifluoromethyl)butanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;propan-2-yl 2,2-difluoro-3,4-dimethylpentanoate;(2R)-1,1,1-trifluoro-3-methylbutan-2-ol;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;(2R)-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-4-methyl-2-(trifluoromethyl)pentan-2-ol;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(2S,3R)-1,1,1-trifluoro-2,3,4-trimethylpentane;2,2,3-trimethylbutan-1-ol;2,2,4-trimethylpentan-1-ol is sourced from PubChem (CID 159024666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).