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

C14H16F4O2 — CID 82770078

IUPAC1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCOc1ccc(F)cc1C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16F4O2/c1-20-12-3-2-10(15)8-11(12)13(19)6-4-9(5-7-13)14(16,17)18/h2-3,8-9,19H,4-7H2,1H3
InChIKeyRAKDEDXAWURRKW-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.77
Rot. Bonds2

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

1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 82770078) has the molecular formula C14H16F4O2 and a molecular weight of 292.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID82770078
Molecular FormulaC14H16F4O2
Molecular Weight292.27 g/mol
Exact Mass292.11
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCOc1ccc(F)cc1C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H16F4O2/c1-20-12-3-2-10(15)8-11(12)13(19)6-4-9(5-7-13)14(16,17)18/h2-3,8-9,19H,4-7H2,1H3
InChIKeyRAKDEDXAWURRKW-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756534
8-(5-fluoro-2-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 82770535
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 82768870
1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756729
4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yloxan-4-ol
CID 82770391
4-tert-butyl-1-(2,5-difluorophenyl)cycloheptan-1-ol
CID 65094671
1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756751
1-(2-methoxyphenyl)-4-methylcyclohexan-1-ol
CID 60794785
4-(5-fluoro-2-methoxyphenyl)oxan-4-amine
CID 80503676
3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82769169
3-(5-fluoro-2-methoxyphenyl)-4,4-dimethylthian-3-ol
CID 82770394
3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine
CID 166607967

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 82770078) is 1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol is COc1ccc(F)cc1C1(O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is RAKDEDXAWURRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4O2/c1-20-12-3-2-10(15)8-11(12)13(19)6-4-9(5-7-13)14(16,17)18/h2-3,8-9,19H,4-7H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 292.27 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 82770078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).