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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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

C190H348F54N2O37 — CID 158663073

IUPAC2,2-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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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
SMILESCC(C)C(C(=O)O)C(F)(F)F.CC(C)C(CC(=O)O)C(C)C.CC(C)C(CC(=O)O)C(C)C.CC(C)C(CC(=O)O)C(F)(F)F.CC(C)C(CO)CC(F)(F)F.CC(C)CC(C)(C)CO.CC(C)CC(C)(F)F.CC(C)CC(CCC(=O)O)C(F)(F)F.CC(C)CC(CCCO)C(F)(F)F.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)CCCCCC(=O)O.CC(C)CCCCCCCC(=O)O.CC(C)CC[C@H](O)C(F)(F)F.CC(C)OC(=O)C(F)(F)C(C)C(C)C.CC(C)[C@@H](C)[C@H](O)C(F)(F)F.CC(C)[C@@H](CC(=O)O)CC(F)(F)F.CC(C)[C@@H](CC(F)(F)F)C(=O)O.CC(C)[C@@H](O)C(F)(F)F.CC(C)[C@H](C)C(=O)O.CC(C)[C@H](CC(=O)O)CC(F)(F)F.CC(C)[C@H](CC(F)(F)F)C(=O)O.CNC(=O)C(F)(F)C(C)C(C)C.COC(=O)C(F)(F)C(C)C(C)C
InChIInChI=1S/C11H22O2.C10H18F2O2.C9H15F3O2.C9H17F3O.3C9H18O2.2C8H13F3O2.C8H15F2NO.C8H14F2O2.C8H18O.C7H10F6O.3C7H11F3O2.3C7H13F3O.C6H9F3O2.C6H13F2N.C6H12F2O.C6H12F2.C6H12O2.C5H9F3O/c1-10(2)8-6-4-3-5-7-9-11(12)13;1-6(2)8(5)10(11,12)9(13)14-7(3)4;1-6(2)5-7(9(10,11)12)3-4-8(13)14;1-7(2)6-8(4-3-5-13)9(10,11)12;2*1-6(2)8(7(3)4)5-9(10)11;1-8(2)6-4-3-5-7-9(10)11;2*1-5(2)6(3-7(12)13)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(11)12-4;1-7(2)5-8(3,4)6-9;1-4(2)3-5(14,6(8,9)10)7(11,12)13;2*1-4(2)5(6(11)12)3-7(8,9)10;1-4(2)5(3-6(11)12)7(8,9)10;1-5(2)6(4-11)3-7(8,9)10;1-5(2)3-4-6(11)7(8,9)10;1-4(2)5(3)6(11)7(8,9)10;1-3(2)4(5(10)11)6(7,8)9;2*1-5(2)3-6(7,8)4-9;1-5(2)4-6(3,7)8;1-4(2)5(3)6(7)8;1-3(2)4(9)5(6,7)8/h10H,3-9H2,1-2H3,(H,12,13);6-8H,1-5H3;6-7H,3-5H2,1-2H3,(H,13,14);7-8,13H,3-6H2,1-2H3;2*6-8H,5H2,1-4H3,(H,10,11);8H,3-7H2,1-2H3,(H,10,11);2*5-6H,3-4H2,1-2H3,(H,12,13);5-6H,1-4H3,(H,11,12);5-6H,1-4H3;7,9H,5-6H2,1-4H3;4,14H,3H2,1-2H3;3*4-5H,3H2,1-2H3,(H,11,12);2*5-6,11H,3-4H2,1-2H3;4-6,11H,1-3H3;3-4H,1-2H3,(H,10,11);5H,3-4,9H2,1-2H3;5,9H,3-4H2,1-2H3;5H,4H2,1-3H3;4-5H,1-3H3,(H,7,8);3-4,9H,1-2H3/t;;;;;;;2*6-;;;;;2*5-;;;6-;5-,6+;;;;;5-;4-/m.......10....10..01....01/s1
InChIKeyICZQDNXSMAEADB-LXZMGOLESA-N
MW4278.74 g/mol
LogP58.34
Rot. Bonds85

About 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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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

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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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 (PubChem CID 158663073) has the molecular formula C190H348F54N2O37 and a molecular weight of 4278.74 g/mol. Its IUPAC name is 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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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.

Molecular Properties

Compound Name2,2-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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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
PubChem CID158663073
Molecular FormulaC190H348F54N2O37
Molecular Weight4278.74 g/mol
Exact Mass4276.45
IUPAC Name2,2-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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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
SMILESCC(C)C(C(=O)O)C(F)(F)F.CC(C)C(CC(=O)O)C(C)C.CC(C)C(CC(=O)O)C(C)C.CC(C)C(CC(=O)O)C(F)(F)F.CC(C)C(CO)CC(F)(F)F.CC(C)CC(C)(C)CO.CC(C)CC(C)(F)F.CC(C)CC(CCC(=O)O)C(F)(F)F.CC(C)CC(CCCO)C(F)(F)F.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)CCCCCC(=O)O.CC(C)CCCCCCCC(=O)O.CC(C)CC[C@H](O)C(F)(F)F.CC(C)OC(=O)C(F)(F)C(C)C(C)C.CC(C)[C@@H](C)[C@H](O)C(F)(F)F.CC(C)[C@@H](CC(=O)O)CC(F)(F)F.CC(C)[C@@H](CC(F)(F)F)C(=O)O.CC(C)[C@@H](O)C(F)(F)F.CC(C)[C@H](C)C(=O)O.CC(C)[C@H](CC(=O)O)CC(F)(F)F.CC(C)[C@H](CC(F)(F)F)C(=O)O.CNC(=O)C(F)(F)C(C)C(C)C.COC(=O)C(F)(F)C(C)C(C)C
InChIInChI=1S/C11H22O2.C10H18F2O2.C9H15F3O2.C9H17F3O.3C9H18O2.2C8H13F3O2.C8H15F2NO.C8H14F2O2.C8H18O.C7H10F6O.3C7H11F3O2.3C7H13F3O.C6H9F3O2.C6H13F2N.C6H12F2O.C6H12F2.C6H12O2.C5H9F3O/c1-10(2)8-6-4-3-5-7-9-11(12)13;1-6(2)8(5)10(11,12)9(13)14-7(3)4;1-6(2)5-7(9(10,11)12)3-4-8(13)14;1-7(2)6-8(4-3-5-13)9(10,11)12;2*1-6(2)8(7(3)4)5-9(10)11;1-8(2)6-4-3-5-7-9(10)11;2*1-5(2)6(3-7(12)13)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(11)12-4;1-7(2)5-8(3,4)6-9;1-4(2)3-5(14,6(8,9)10)7(11,12)13;2*1-4(2)5(6(11)12)3-7(8,9)10;1-4(2)5(3-6(11)12)7(8,9)10;1-5(2)6(4-11)3-7(8,9)10;1-5(2)3-4-6(11)7(8,9)10;1-4(2)5(3)6(11)7(8,9)10;1-3(2)4(5(10)11)6(7,8)9;2*1-5(2)3-6(7,8)4-9;1-5(2)4-6(3,7)8;1-4(2)5(3)6(7)8;1-3(2)4(9)5(6,7)8/h10H,3-9H2,1-2H3,(H,12,13);6-8H,1-5H3;6-7H,3-5H2,1-2H3,(H,13,14);7-8,13H,3-6H2,1-2H3;2*6-8H,5H2,1-4H3,(H,10,11);8H,3-7H2,1-2H3,(H,10,11);2*5-6H,3-4H2,1-2H3,(H,12,13);5-6H,1-4H3,(H,11,12);5-6H,1-4H3;7,9H,5-6H2,1-4H3;4,14H,3H2,1-2H3;3*4-5H,3H2,1-2H3,(H,11,12);2*5-6,11H,3-4H2,1-2H3;4-6,11H,1-3H3;3-4H,1-2H3,(H,10,11);5H,3-4,9H2,1-2H3;5,9H,3-4H2,1-2H3;5H,4H2,1-3H3;4-5H,1-3H3,(H,7,8);3-4,9H,1-2H3/t;;;;;;;2*6-;;;;;2*5-;;;6-;5-,6+;;;;;5-;4-/m.......10....10..01....01/s1
InChIKeyICZQDNXSMAEADB-LXZMGOLESA-N
XLogP58.34
TPSA717.16 Ų
H-Bond Donors22
H-Bond Acceptors26
Rotatable Bonds85
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004278.74
LogP ≤ 558.34
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1026

Analyze 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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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?
The IUPAC name of 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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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 158663073) is 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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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.
What is the SMILES notation for 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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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?
The canonical SMILES for 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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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 is CC(C)C(C(=O)O)C(F)(F)F.CC(C)C(CC(=O)O)C(C)C.CC(C)C(CC(=O)O)C(C)C.CC(C)C(CC(=O)O)C(F)(F)F.CC(C)C(CO)CC(F)(F)F.CC(C)CC(C)(C)CO.CC(C)CC(C)(F)F.CC(C)CC(CCC(=O)O)C(F)(F)F.CC(C)CC(CCCO)C(F)(F)F.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)CCCCCC(=O)O.CC(C)CCCCCCCC(=O)O.CC(C)CC[C@H](O)C(F)(F)F.CC(C)OC(=O)C(F)(F)C(C)C(C)C.CC(C)[C@@H](C)[C@H](O)C(F)(F)F.CC(C)[C@@H](CC(=O)O)CC(F)(F)F.CC(C)[C@@H](CC(F)(F)F)C(=O)O.CC(C)[C@@H](O)C(F)(F)F.CC(C)[C@H](C)C(=O)O.CC(C)[C@H](CC(=O)O)CC(F)(F)F.CC(C)[C@H](CC(F)(F)F)C(=O)O.CNC(=O)C(F)(F)C(C)C(C)C.COC(=O)C(F)(F)C(C)C(C)C.
What is the InChIKey of 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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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?
The InChIKey is ICZQDNXSMAEADB-LXZMGOLESA-N. The full InChI is InChI=1S/C11H22O2.C10H18F2O2.C9H15F3O2.C9H17F3O.3C9H18O2.2C8H13F3O2.C8H15F2NO.C8H14F2O2.C8H18O.C7H10F6O.3C7H11F3O2.3C7H13F3O.C6H9F3O2.C6H13F2N.C6H12F2O.C6H12F2.C6H12O2.C5H9F3O/c1-10(2)8-6-4-3-5-7-9-11(12)13;1-6(2)8(5)10(11,12)9(13)14-7(3)4;1-6(2)5-7(9(10,11)12)3-4-8(13)14;1-7(2)6-8(4-3-5-13)9(10,11)12;2*1-6(2)8(7(3)4)5-9(10)11;1-8(2)6-4-3-5-7-9(10)11;2*1-5(2)6(3-7(12)13)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(11)12-4;1-7(2)5-8(3,4)6-9;1-4(2)3-5(14,6(8,9)10)7(11,12)13;2*1-4(2)5(6(11)12)3-7(8,9)10;1-4(2)5(3-6(11)12)7(8,9)10;1-5(2)6(4-11)3-7(8,9)10;1-5(2)3-4-6(11)7(8,9)10;1-4(2)5(3)6(11)7(8,9)10;1-3(2)4(5(10)11)6(7,8)9;2*1-5(2)3-6(7,8)4-9;1-5(2)4-6(3,7)8;1-4(2)5(3)6(7)8;1-3(2)4(9)5(6,7)8/h10H,3-9H2,1-2H3,(H,12,13);6-8H,1-5H3;6-7H,3-5H2,1-2H3,(H,13,14);7-8,13H,3-6H2,1-2H3;2*6-8H,5H2,1-4H3,(H,10,11);8H,3-7H2,1-2H3,(H,10,11);2*5-6H,3-4H2,1-2H3,(H,12,13);5-6H,1-4H3,(H,11,12);5-6H,1-4H3;7,9H,5-6H2,1-4H3;4,14H,3H2,1-2H3;3*4-5H,3H2,1-2H3,(H,11,12);2*5-6,11H,3-4H2,1-2H3;4-6,11H,1-3H3;3-4H,1-2H3,(H,10,11);5H,3-4,9H2,1-2H3;5,9H,3-4H2,1-2H3;5H,4H2,1-3H3;4-5H,1-3H3,(H,7,8);3-4,9H,1-2H3/t;;;;;;;2*6-;;;;;2*5-;;;6-;5-,6+;;;;;5-;4-/m.......10....10..01....01/s1.
What are the key properties of 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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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?
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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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 has a molecular weight of 4278.74 g/mol, XLogP of 58.34, 85 rotatable bonds, 22 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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)heptanoic acid;6-methyl-4-(trifluoromethyl)heptan-1-ol;4-methyl-3-(trifluoromethyl)pentanoic acid;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;(2S)-1,1,1-trifluoro-5-methylhexan-2-ol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol;(2S)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;(2R)-4,4,4-trifluoro-2-propan-2-ylbutanoic acid;4,4,4-trifluoro-2-propan-2-ylbutan-1-ol;(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 is sourced from PubChem (CID 158663073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).