1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol

C15H18F4O — CID 107287447

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol
SMILESCC1CCC(C)C(O)(c2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18F4O/c1-9-3-4-10(2)14(20,8-9)11-5-6-13(16)12(7-11)15(17,18)19/h5-7,9-10,20H,3-4,8H2,1-2H3
InChIKeyWQHHHJDRGPSZAQ-UHFFFAOYSA-N
MW290.30 g/mol
LogP4.49
Rot. Bonds1

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol

1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol (PubChem CID 107287447) has the molecular formula C15H18F4O and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol
PubChem CID107287447
Molecular FormulaC15H18F4O
Molecular Weight290.30 g/mol
Exact Mass290.13
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol
SMILESCC1CCC(C)C(O)(c2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18F4O/c1-9-3-4-10(2)14(20,8-9)11-5-6-13(16)12(7-11)15(17,18)19/h5-7,9-10,20H,3-4,8H2,1-2H3
InChIKeyWQHHHJDRGPSZAQ-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol
CID 64755424
1-(3,5-difluorophenyl)-2,5-dimethylcyclohexan-1-ol
CID 64753777
1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol
CID 64755423
(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol
CID 124672757
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,4-dimethylcyclohexan-1-amine
CID 107288032
2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
CID 102707348
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol
CID 107287029
4-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 107287038
[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine
CID 143403303
1-(3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 64756237
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol
CID 107288498
2,5-dimethyl-1-quinolin-3-ylcyclohexan-1-ol
CID 64755422

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol (CID 107287447) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol is CC1CCC(C)C(O)(c2ccc(F)c(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol?
The InChIKey is WQHHHJDRGPSZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4O/c1-9-3-4-10(2)14(20,8-9)11-5-6-13(16)12(7-11)15(17,18)19/h5-7,9-10,20H,3-4,8H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol has a molecular weight of 290.30 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 107287447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).