(2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol

C15H19F3O2 — CID 146197513

IUPAC(2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOC[C@H](c1ccc(OC(F)(F)F)cc1)C1CCCCC1
InChIInChI=1S/C15H19F3O2/c16-15(17,18)20-13-8-6-12(7-9-13)14(10-19)11-4-2-1-3-5-11/h6-9,11,14,19H,1-5,10H2/t14-/m0/s1
InChIKeySSTQZFSTQVSHRP-AWEZNQCLSA-N
MW288.31 g/mol
LogP4.24
Rot. Bonds4

About (2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol

(2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 146197513) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID146197513
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name(2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOC[C@H](c1ccc(OC(F)(F)F)cc1)C1CCCCC1
InChIInChI=1S/C15H19F3O2/c16-15(17,18)20-13-8-6-12(7-9-13)14(10-19)11-4-2-1-3-5-11/h6-9,11,14,19H,1-5,10H2/t14-/m0/s1
InChIKeySSTQZFSTQVSHRP-AWEZNQCLSA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 67484387
N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 114981675
(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine
CID 81389755
2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61055835
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43190434
N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65385001
2-cyclopropyl-2-(4-fluorophenyl)ethanol
CID 82075045
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
1-[(S)-cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171279205
1-(1-cyclohexyl-2,2,2-trifluoroethyl)-4-[4-(1-cyclohexyl-2,2,2-trifluoroethyl)phenoxy]benzene
CID 165112750
1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 115787261
1-[(R)-cyclopentyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171170921

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of (2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol (CID 146197513) is (2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for (2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for (2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol is OC[C@H](c1ccc(OC(F)(F)F)cc1)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is SSTQZFSTQVSHRP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19F3O2/c16-15(17,18)20-13-8-6-12(7-9-13)14(10-19)11-4-2-1-3-5-11/h6-9,11,14,19H,1-5,10H2/t14-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol?
(2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 288.31 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 146197513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).