About 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
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 (PubChem CID 161376273) has the molecular formula C165H303F34N3O37
and a molecular weight of 3567.15 g/mol. Its IUPAC name is 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.
Frequently Asked Questions
What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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)CC(C)(C)CO.CC(C)CC(CCC(=O)O)C(F)(F)F.CC(C)CC(F)(F)C(=O)O.CC(C)CC(F)(F)C(N)=O.CC(C)CC(F)(F)CN.CC(C)CC(F)(F)CO.CC(C)CCC(F)(F)C(=O)O.CC(C)CCCCCC(=O)O.CC(C)CCCCCCCC(=O)O.CC(C)OC(=O)C(F)(F)C(C)C(C)C.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](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)CCC(=O)CC(C)C.COC(=O)CCC(F)(F)CC(C)C.
What is the InChIKey of 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?
The InChIKey is VRCVHSYWBGFUOU-QYXVATSDSA-N. The full InChI is InChI=1S/C11H22O2.C10H18F2O2.C9H15F3O2.C9H16F2O2.C9H16O3.3C9H18O2.2C8H13F3O2.C8H15F2NO.C8H18O.3C7H11F3O2.C7H12F2O2.C6H11F2NO.C6H13F2N.C6H10F2O2.C6H12F2O.C6H12O2/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)6-9(10,11)5-4-8(12)13-3;1-7(2)6-8(10)4-5-9(11)12-3;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;1-7(2)5-8(3,4)6-9;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)3-4-7(8,9)6(10)11;1-4(2)3-6(7,8)5(9)10;1-5(2)3-6(7,8)4-9;1-4(2)3-6(7,8)5(9)10;1-5(2)3-6(7,8)4-9;1-4(2)5(3)6(7)8/h10H,3-9H2,1-2H3,(H,12,13);6-8H,1-5H3;6-7H,3-5H2,1-2H3,(H,13,14);7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;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);7,9H,5-6H2,1-4H3;3*4-5H,3H2,1-2H3,(H,11,12);5H,3-4H2,1-2H3,(H,10,11);4H,3H2,1-2H3,(H2,9,10);5H,3-4,9H2,1-2H3;4H,3H2,1-2H3,(H,9,10);5,9H,3-4H2,1-2H3;4-5H,1-3H3,(H,7,8)/t;;;;;;;;2*6-;;;2*5-;;;;;;;5-/m........10..10......0/s1.
What are the key properties of 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?
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 has a molecular weight of 3567.15 g/mol, XLogP of 46.70, 82 rotatable bonds, 18 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161376273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).