(3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol

C16H20F4O — CID 115351175

IUPAC(3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESCC1CCC(C(O)c2cc(F)cc(C(F)(F)F)c2)CC1C
InChIInChI=1S/C16H20F4O/c1-9-3-4-11(5-10(9)2)15(21)12-6-13(16(18,19)20)8-14(17)7-12/h6-11,15,21H,3-5H2,1-2H3
InChIKeyCFZHDVDKMNVGBV-UHFFFAOYSA-N
MW304.33 g/mol
LogP4.95
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol

(3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol (PubChem CID 115351175) has the molecular formula C16H20F4O and a molecular weight of 304.33 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
PubChem CID115351175
Molecular FormulaC16H20F4O
Molecular Weight304.33 g/mol
Exact Mass304.15
IUPAC Name(3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESCC1CCC(C(O)c2cc(F)cc(C(F)(F)F)c2)CC1C
InChIInChI=1S/C16H20F4O/c1-9-3-4-11(5-10(9)2)15(21)12-6-13(16(18,19)20)8-14(17)7-12/h6-11,15,21H,3-5H2,1-2H3
InChIKeyCFZHDVDKMNVGBV-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351077
cyclopentyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351164
(3,4-dimethylcyclohexyl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502825
(S)-cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 131485190
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 138986249
(3,5-dichlorophenyl)-(3,4-dimethylcyclohexyl)methanol
CID 64739213
[3-fluoro-5-(trifluoromethyl)phenyl]-(oxan-3-yl)methanol
CID 107135674
(3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 105103094
2-cyclopropyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
CID 175668568
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351165
(3,4-dimethylcyclohexyl)-(3-methylphenyl)methanol
CID 64739613

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol (CID 115351175) is (3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol is CC1CCC(C(O)c2cc(F)cc(C(F)(F)F)c2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is CFZHDVDKMNVGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4O/c1-9-3-4-11(5-10(9)2)15(21)12-6-13(16(18,19)20)8-14(17)7-12/h6-11,15,21H,3-5H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol?
(3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 304.33 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 115351175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).