(3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol

C14H16ClF3O — CID 105081334

IUPAC(3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1cccc(Cl)c1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H16ClF3O/c15-10-5-3-4-9(8-10)13(19)11-6-1-2-7-12(11)14(16,17)18/h3-5,8,11-13,19H,1-2,6-7H2
InChIKeyVVAGAZWSKYSTTC-UHFFFAOYSA-N
MW292.73 g/mol
LogP4.74
Rot. Bonds2

About (3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol

(3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105081334) has the molecular formula C14H16ClF3O and a molecular weight of 292.73 g/mol. Its IUPAC name is (3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105081334
Molecular FormulaC14H16ClF3O
Molecular Weight292.73 g/mol
Exact Mass292.08
IUPAC Name(3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1cccc(Cl)c1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H16ClF3O/c15-10-5-3-4-9(8-10)13(19)11-6-1-2-7-12(11)14(16,17)18/h3-5,8,11-13,19H,1-2,6-7H2
InChIKeyVVAGAZWSKYSTTC-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-aminocyclopentyl)-(3-chlorophenyl)methanol
CID 82391580
2-(5-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 103053363
1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol
CID 103459098
(2,3-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105091901
(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol
CID 171162235
(5-bromo-2-fluorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105113662
(3-chlorophenyl)-[(3R)-piperidin-3-yl]methanol
CID 67190676
(3-chlorophenyl)-fluoromethanol
CID 70239224
3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758672
(3-chlorophenyl)methanediol
CID 20679602
2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 102623125
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol (CID 105081334) is (3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol is OC(c1cccc(Cl)c1)C1CCCCC1C(F)(F)F.
What is the InChIKey of (3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is VVAGAZWSKYSTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3O/c15-10-5-3-4-9(8-10)13(19)11-6-1-2-7-12(11)14(16,17)18/h3-5,8,11-13,19H,1-2,6-7H2.
What are the key properties of (3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
(3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 292.73 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105081334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).