(1S)-1-cyclohexyl-2,2,2-trifluoroethanol

C8H13F3O — CID 11008557

IUPAC(1S)-1-cyclohexyl-2,2,2-trifluoroethanol
SMILESO[C@@H](C1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H13F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6-7,12H,1-5H2/t7-/m0/s1
InChIKeyWDWKMZMIJJTUES-ZETCQYMHSA-N
MW182.18 g/mol
LogP2.49
Rot. Bonds1

About (1S)-1-cyclohexyl-2,2,2-trifluoroethanol

(1S)-1-cyclohexyl-2,2,2-trifluoroethanol (PubChem CID 11008557) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-2,2,2-trifluoroethanol
PubChem CID11008557
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name(1S)-1-cyclohexyl-2,2,2-trifluoroethanol
SMILESO[C@@H](C1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H13F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6-7,12H,1-5H2/t7-/m0/s1
InChIKeyWDWKMZMIJJTUES-ZETCQYMHSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-2,2,2-trifluoroethanol?
The IUPAC name of (1S)-1-cyclohexyl-2,2,2-trifluoroethanol (CID 11008557) is (1S)-1-cyclohexyl-2,2,2-trifluoroethanol.
What is the SMILES notation for (1S)-1-cyclohexyl-2,2,2-trifluoroethanol?
The canonical SMILES for (1S)-1-cyclohexyl-2,2,2-trifluoroethanol is O[C@@H](C1CCCCC1)C(F)(F)F.
What is the InChIKey of (1S)-1-cyclohexyl-2,2,2-trifluoroethanol?
The InChIKey is WDWKMZMIJJTUES-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6-7,12H,1-5H2/t7-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-2,2,2-trifluoroethanol?
(1S)-1-cyclohexyl-2,2,2-trifluoroethanol has a molecular weight of 182.18 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-2,2,2-trifluoroethanol is sourced from PubChem (CID 11008557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).