(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol

C15H17F5O — CID 107516176

IUPAC(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCc1ccc(C(O)C2CCC(C(F)(F)F)CC2)c(F)c1F
InChIInChI=1S/C15H17F5O/c1-8-2-7-11(13(17)12(8)16)14(21)9-3-5-10(6-4-9)15(18,19)20/h2,7,9-10,14,21H,3-6H2,1H3
InChIKeyVDTMRCLKFVIOKW-UHFFFAOYSA-N
MW308.29 g/mol
LogP4.68
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol

(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 107516176) has the molecular formula C15H17F5O and a molecular weight of 308.29 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID107516176
Molecular FormulaC15H17F5O
Molecular Weight308.29 g/mol
Exact Mass308.12
IUPAC Name(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCc1ccc(C(O)C2CCC(C(F)(F)F)CC2)c(F)c1F
InChIInChI=1S/C15H17F5O/c1-8-2-7-11(13(17)12(8)16)14(21)9-3-5-10(6-4-9)15(18,19)20/h2,7,9-10,14,21H,3-6H2,1H3
InChIKeyVDTMRCLKFVIOKW-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105091992
(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105110904
(4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol
CID 65425286
(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol
CID 107512213
(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107512915
(2,3-difluoro-4-methylphenyl)-(2-methylcyclopropyl)methanol
CID 107512916
(2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105093185
1-(2,3-difluoro-4-methylphenyl)-2-(thian-4-yl)ethanol
CID 107516261
cyclopentyl-(2-fluoro-3-methylphenyl)methanol
CID 115840644
(3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol
CID 106644575
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 106945185
cyclobutyl-(2,3,4-trifluorophenyl)methanol
CID 64986364

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol (CID 107516176) is (2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol is Cc1ccc(C(O)C2CCC(C(F)(F)F)CC2)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is VDTMRCLKFVIOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F5O/c1-8-2-7-11(13(17)12(8)16)14(21)9-3-5-10(6-4-9)15(18,19)20/h2,7,9-10,14,21H,3-6H2,1H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 308.29 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 107516176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).