1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol

C14H16F4O — CID 64756729

IUPAC1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCc1ccc(F)c(C2(O)CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H16F4O/c1-9-2-3-12(15)11(8-9)13(19)6-4-10(5-7-13)14(16,17)18/h2-3,8,10,19H,4-7H2,1H3
InChIKeyWSDMKAFNZCTTRM-UHFFFAOYSA-N
MW276.27 g/mol
LogP4.07
Rot. Bonds1

About 1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol

1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64756729) has the molecular formula C14H16F4O and a molecular weight of 276.27 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64756729
Molecular FormulaC14H16F4O
Molecular Weight276.27 g/mol
Exact Mass276.11
IUPAC Name1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCc1ccc(F)c(C2(O)CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H16F4O/c1-9-2-3-12(15)11(8-9)13(19)6-4-10(5-7-13)14(16,17)18/h2-3,8,10,19H,4-7H2,1H3
InChIKeyWSDMKAFNZCTTRM-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol
CID 63406827
1-(2-fluoro-5-methylphenyl)cyclopentan-1-ol
CID 62788885
8-(2-fluoro-5-methylphenyl)spiro[4.5]decan-8-ol
CID 114819243
4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol
CID 65094671
1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 82770078
1-(5-bromo-2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79743510
2-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol
CID 55186000
1-ethyl-4-(2-fluoro-5-methylphenyl)azepan-4-ol
CID 65077601
1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63406861
1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759665
4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
CID 102707349
1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756534

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 64756729) is 1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol is Cc1ccc(F)c(C2(O)CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is WSDMKAFNZCTTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4O/c1-9-2-3-12(15)11(8-9)13(19)6-4-10(5-7-13)14(16,17)18/h2-3,8,10,19H,4-7H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 276.27 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64756729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).