butanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol

C122H160F48O19 — CID 160826843

IUPACbutanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
SMILESCC(=O)C1CC2CC(C)C1C2.CC(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CC(C)c1ccc(O)cc1.CC1CC2CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C2.CC1CC2CC1C(C(O)(C(F)(F)F)C(F)(F)F)C2.CCC(C(=O)O)C(F)(F)F.CCC(C)C(=O)O.CCC(O)(C(F)(F)F)C(F)(F)F.CCC(O)C(F)(F)F.CCCC(=O)O.CCCC(=O)OC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.CCCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CCCc1ccc(O)cc1.CCc1ccc(O)cc1
InChIInChI=1S/C16H18F12O3.C12H16F6O.2C12H12F6O.C11H14F6O.C10H16O.2C9H12O.C8H10O.C5H6F6O.C5H7F3O2.C5H10O2.C4H7F3O.C4H8O2/c1-2-3-10(29)31-12(15(23,24)25,16(26,27)28)9-6-4-8(5-7-9)11(30,13(17,18)19)14(20,21)22;1-6-2-7-3-8(9(6)4-7)5-10(19,11(13,14)15)12(16,17)18;1-7(2)8-3-5-9(6-4-8)10(19,11(13,14)15)12(16,17)18;1-2-3-8-4-6-9(7-5-8)10(19,11(13,14)15)12(16,17)18;1-5-2-6-3-7(5)8(4-6)9(18,10(12,13)14)11(15,16)17;1-6-3-8-4-9(6)10(5-8)7(2)11;1-7(2)8-3-5-9(10)6-4-8;1-2-3-8-4-6-9(10)7-5-8;1-2-7-3-5-8(9)6-4-7;1-2-3(12,4(6,7)8)5(9,10)11;1-2-3(4(9)10)5(6,7)8;1-3-4(2)5(6)7;1-2-3(8)4(5,6)7;1-2-3-4(5)6/h8-9,30H,2-7H2,1H3;6-9,19H,2-5H2,1H3;3-7,19H,1-2H3;4-7,19H,2-3H2,1H3;5-8,18H,2-4H2,1H3;6,8-10H,3-5H2,1-2H3;3-7,10H,1-2H3;4-7,10H,2-3H2,1H3;3-6,9H,2H2,1H3;12H,2H2,1H3;3H,2H2,1H3,(H,9,10);4H,3H2,1-2H3,(H,6,7);3,8H,2H2,1H3;2-3H2,1H3,(H,5,6)
InChIKeySGHBVQAKOBLXIV-UHFFFAOYSA-N
MW2842.51 g/mol
LogP37.66
Rot. Bonds26

About butanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol

butanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol (PubChem CID 160826843) has the molecular formula C122H160F48O19 and a molecular weight of 2842.51 g/mol. Its IUPAC name is butanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Namebutanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
PubChem CID160826843
Molecular FormulaC122H160F48O19
Molecular Weight2842.51 g/mol
Exact Mass2841.08
IUPAC Namebutanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
SMILESCC(=O)C1CC2CC(C)C1C2.CC(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CC(C)c1ccc(O)cc1.CC1CC2CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C2.CC1CC2CC1C(C(O)(C(F)(F)F)C(F)(F)F)C2.CCC(C(=O)O)C(F)(F)F.CCC(C)C(=O)O.CCC(O)(C(F)(F)F)C(F)(F)F.CCC(O)C(F)(F)F.CCCC(=O)O.CCCC(=O)OC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.CCCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CCCc1ccc(O)cc1.CCc1ccc(O)cc1
InChIInChI=1S/C16H18F12O3.C12H16F6O.2C12H12F6O.C11H14F6O.C10H16O.2C9H12O.C8H10O.C5H6F6O.C5H7F3O2.C5H10O2.C4H7F3O.C4H8O2/c1-2-3-10(29)31-12(15(23,24)25,16(26,27)28)9-6-4-8(5-7-9)11(30,13(17,18)19)14(20,21)22;1-6-2-7-3-8(9(6)4-7)5-10(19,11(13,14)15)12(16,17)18;1-7(2)8-3-5-9(6-4-8)10(19,11(13,14)15)12(16,17)18;1-2-3-8-4-6-9(7-5-8)10(19,11(13,14)15)12(16,17)18;1-5-2-6-3-7(5)8(4-6)9(18,10(12,13)14)11(15,16)17;1-6-3-8-4-9(6)10(5-8)7(2)11;1-7(2)8-3-5-9(10)6-4-8;1-2-3-8-4-6-9(10)7-5-8;1-2-7-3-5-8(9)6-4-7;1-2-3(12,4(6,7)8)5(9,10)11;1-2-3(4(9)10)5(6,7)8;1-3-4(2)5(6)7;1-2-3(8)4(5,6)7;1-2-3-4(5)6/h8-9,30H,2-7H2,1H3;6-9,19H,2-5H2,1H3;3-7,19H,1-2H3;4-7,19H,2-3H2,1H3;5-8,18H,2-4H2,1H3;6,8-10H,3-5H2,1-2H3;3-7,10H,1-2H3;4-7,10H,2-3H2,1H3;3-6,9H,2H2,1H3;12H,2H2,1H3;3H,2H2,1H3,(H,9,10);4H,3H2,1-2H3,(H,6,7);3,8H,2H2,1H3;2-3H2,1H3,(H,5,6)
InChIKeySGHBVQAKOBLXIV-UHFFFAOYSA-N
XLogP37.66
TPSA357.57 Ų
H-Bond Donors13
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002842.51
LogP ≤ 537.66
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1016

Analyze butanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol with MolForge

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Related Compounds

[4-[2,3-Difluoro-4-(1-hydroxybutyl)phenyl]cyclohexyl] 4-[4-(2,3-difluoro-4-hydroxyphenyl)-2,3-difluorophenyl]cyclohexane-1-carboxylate
CID 88893787
[4-[4-(2,3-Difluoro-4-hydroxyphenyl)-2,3-difluorophenyl]cyclohexyl] 4-[2,3-difluoro-4-(1-hydroxybutyl)phenyl]cyclohexane-1-carboxylate
CID 88893897
2-(2-Bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;3,4-dimethyl-2-(trifluoromethyl)pentanoic acid;1,1,1,9,9,9-hexafluoro-2,5,6-trimethylnonane-2,8-diol;2-hydroxyethyl 8,8,8-trifluoro-7-hydroxy-4,5,7-trimethyloctanoate;6-(4-hydroxyphenyl)-4,5-dimethylheptanoic acid;methane;4-(3-methylbutan-2-yl)phenol;1,1,1-trifluoro-2,5-dimethylhexan-2-ol;1,1,1-trifluoro-4,5-dimethyl-7-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]heptan-2-ol;4-(7,7,7-trifluoro-6-hydroxy-3,4-dimethylheptan-2-yl)phenol;4-(7,7,7-trifluoro-6-hydroxy-3,4-dimethylheptyl)phenol;7,7,7-trifluoro-2,3,6-trimethylheptane-1,6-diol
CID 157068736
Bicyclo[2.2.1]heptane-2-carboxylic acid;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol;4-butan-2-ylphenol;4-butylphenol;1-(4-butylphenyl)-2-methylpropan-2-ol;methane;2-methylpentanoic acid;2-methyl-1-(4-propylphenyl)propan-2-ol;pentanoic acid;pentan-2-ol;propane;4-propylphenol;1,1,1-trifluoro-2-methylhexan-2-ol;2-(trifluoromethyl)pentanoic acid;1,1,1-trifluoro-2-methylpentan-2-ol
CID 157190339
[1-(1-Adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(2-adamantyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;[1-(1-adamantyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl] 2-methylprop-2-enoate;[1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl] 2-methylprop-2-enoate;(1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;(1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-methylbutan-2-yl) 2-methylprop-2-enoate;4-ethenyl-2,3-difluorophenol;4-ethenyl-2,5-difluorophenol;4-ethenyl-3,5-difluorophenol;4-ethenyl-2-fluorophenol;(1,1,1-trifluoro-2-hydroxy-2,5-dimethylhexan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethyl-3-propan-2-ylpentan-3-yl) 2-methylprop-2-enoate
CID 157252150
[3,5-Bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate;butan-2-ylcyclohexane;4-butan-2-ylphenol;bis(2-[3-butan-2-yl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol);(3,5-dimethyl-1-adamantyl) 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;[6-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methyl-2-(trifluoromethyl)butanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate)
CID 157547477
3-[(8R,9S,13S,14S,15R)-17,17-difluoro-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]propanoic acid;methyl 3-[(8R,9S,13S,14S,15R)-17,17-difluoro-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]propanoate;methyl 3-[(8R,9S,13S,14S,15R)-17,17-difluoro-13-methyl-3-phenylmethoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]propanoate;methyl 3-[(8R,9S,13S,14S,15R)-13-methyl-17-oxo-3-phenylmethoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]propanoate;3-[(8R,9S,13S,14S,15R)-13-methyl-17-oxo-3-phenylmethoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]propanoic acid
CID 157722248
Tert-butyl [4-(8,8,8-trifluoro-7-hydroxy-3,4-dimethyloctan-2-yl)phenyl] carbonate;tert-butyl 8,8,8-trifluoro-7-hydroxy-4,5-dimethyl-2-(trifluoromethyl)octanoate;tert-butyl 9,9,9-trifluoro-8-hydroxy-4,5,8-trimethylnonanoate;tert-butyl [4-(8,8,8-trifluoro-7-hydroxy-3,4,7-trimethyloctan-2-yl)phenyl] carbonate;6-[3-[6-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]heptanyl]butan-2-yl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 158290126
2-(2-Bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;butanoic acid;ethane;4-ethylphenol;3-(4-ethylphenyl)-1,1,1-trifluoro-2-methylpropan-2-ol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;6-methylbicyclo[2.2.1]heptane-2-carboxylic acid;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-methyl-3-(4-propylphenyl)propan-2-ol;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 158425600
Pentakis(4-butan-2-ylphenol);pentakis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[1-(4-tert-butylphenyl)cyclopentyl] 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[1-(4-methylphenyl)cyclopentyl] 2,2-dimethylbutanoate;(1-naphthalen-2-ylcyclopentyl) 2,2-dimethylbutanoate;(1-phenylcyclopentyl) 2,2-dimethylbutanoate
CID 158676392
Bicyclo[2.2.1]heptane-2-carboxylic acid;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-methylbutan-2-yl)phenol;2-methyl-2-(trifluoromethyl)butanoic acid;bis(3-methyl-3-(trifluoromethyl)pentan-2-one);tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid
CID 158777809
bicyclo[2.2.1]heptane-2-carboxylic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1-trifluoromethanesulfonamide;butanoic acid;ethane;4-ethylphenol;2-[(4-ethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[(4-propylphenyl)methyl]propan-2-ol;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 158828256

Frequently Asked Questions

What is the IUPAC name of butanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of butanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol (CID 160826843) is butanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for butanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for butanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol is CC(=O)C1CC2CC(C)C1C2.CC(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CC(C)c1ccc(O)cc1.CC1CC2CC(CC(O)(C(F)(F)F)C(F)(F)F)C1C2.CC1CC2CC1C(C(O)(C(F)(F)F)C(F)(F)F)C2.CCC(C(=O)O)C(F)(F)F.CCC(C)C(=O)O.CCC(O)(C(F)(F)F)C(F)(F)F.CCC(O)C(F)(F)F.CCCC(=O)O.CCCC(=O)OC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.CCCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.CCCc1ccc(O)cc1.CCc1ccc(O)cc1.
What is the InChIKey of butanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The InChIKey is SGHBVQAKOBLXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F12O3.C12H16F6O.2C12H12F6O.C11H14F6O.C10H16O.2C9H12O.C8H10O.C5H6F6O.C5H7F3O2.C5H10O2.C4H7F3O.C4H8O2/c1-2-3-10(29)31-12(15(23,24)25,16(26,27)28)9-6-4-8(5-7-9)11(30,13(17,18)19)14(20,21)22;1-6-2-7-3-8(9(6)4-7)5-10(19,11(13,14)15)12(16,17)18;1-7(2)8-3-5-9(6-4-8)10(19,11(13,14)15)12(16,17)18;1-2-3-8-4-6-9(7-5-8)10(19,11(13,14)15)12(16,17)18;1-5-2-6-3-7(5)8(4-6)9(18,10(12,13)14)11(15,16)17;1-6-3-8-4-9(6)10(5-8)7(2)11;1-7(2)8-3-5-9(10)6-4-8;1-2-3-8-4-6-9(10)7-5-8;1-2-7-3-5-8(9)6-4-7;1-2-3(12,4(6,7)8)5(9,10)11;1-2-3(4(9)10)5(6,7)8;1-3-4(2)5(6)7;1-2-3(8)4(5,6)7;1-2-3-4(5)6/h8-9,30H,2-7H2,1H3;6-9,19H,2-5H2,1H3;3-7,19H,1-2H3;4-7,19H,2-3H2,1H3;5-8,18H,2-4H2,1H3;6,8-10H,3-5H2,1-2H3;3-7,10H,1-2H3;4-7,10H,2-3H2,1H3;3-6,9H,2H2,1H3;12H,2H2,1H3;3H,2H2,1H3,(H,9,10);4H,3H2,1-2H3,(H,6,7);3,8H,2H2,1H3;2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
butanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol has a molecular weight of 2842.51 g/mol, XLogP of 37.66, 26 rotatable bonds, 13 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;4-ethylphenol;[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butanoate;1,1,1,3,3,3-hexafluoro-2-[(6-methyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propan-2-ylphenyl)propan-2-ol;1,1,1,3,3,3-hexafluoro-2-(4-propylphenyl)propan-2-ol;1-(6-methyl-2-bicyclo[2.2.1]heptanyl)ethanone;2-methylbutanoic acid;4-propan-2-ylphenol;4-propylphenol;1,1,1-trifluorobutan-2-ol;2-(trifluoromethyl)butanoic acid;1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 160826843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).