2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol

C9H12F6O — CID 11149363

IUPAC2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h6,16H,1-5H2
InChIKeyACPCAXAKOBMLSU-UHFFFAOYSA-N
MW250.18 g/mol
LogP3.42
Rot. Bonds1

About 2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol

2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 11149363) has the molecular formula C9H12F6O and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID11149363
Molecular FormulaC9H12F6O
Molecular Weight250.18 g/mol
Exact Mass250.08
IUPAC Name2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h6,16H,1-5H2
InChIKeyACPCAXAKOBMLSU-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heptadecafluoro-2-methyldodecan-2-ol
CID 2782401
5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-methyldecan-2-ol
CID 57740570
5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloctan-2-ol
CID 101027898
1-(1,1,2,2,3,3,3-Heptafluoropropyl)cyclohexan-1-ol
CID 12735477
2-Cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 61644687
3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-2-methyloctan-2-ol
CID 257713
1-(1,1,2,2,2-Pentafluoroethyl)cyclohexanol
CID 13495698
2-Cyclopentyl-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21062431
(2S)-2-cyclohexyl-3,3,3-trifluoropropan-1-ol
CID 131041887
7,7,8,8,9,9,10,10,10-Nonafluoro-5-methyldecan-5-ol
CID 134957960
1,1,1,2,2,3,3,4,4-Nonafluoro-6-methyldodecan-6-ol
CID 164684948
1,1,1,3,3,3-hexafluoro-2-[[(1R,2R)-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]cyclohexyl]methyl]propan-2-ol
CID 10557498

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 11149363) is 2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is ACPCAXAKOBMLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h6,16H,1-5H2.
What are the key properties of 2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 250.18 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 11149363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).