1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol

C14H16F4O — CID 107287029

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(c2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C14H16F4O/c1-9-3-2-6-13(19,8-9)10-4-5-11(12(15)7-10)14(16,17)18/h4-5,7,9,19H,2-3,6,8H2,1H3
InChIKeyXADXZVUMUWFKSJ-UHFFFAOYSA-N
MW276.27 g/mol
LogP4.24
Rot. Bonds1

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol

1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol (PubChem CID 107287029) has the molecular formula C14H16F4O and a molecular weight of 276.27 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol
PubChem CID107287029
Molecular FormulaC14H16F4O
Molecular Weight276.27 g/mol
Exact Mass276.11
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(c2ccc(C(F)(F)F)c(F)c2)C1
InChIInChI=1S/C14H16F4O/c1-9-3-2-6-13(19,8-9)10-4-5-11(12(15)7-10)14(16,17)18/h4-5,7,9,19H,2-3,6,8H2,1H3
InChIKeyXADXZVUMUWFKSJ-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol (CID 107287029) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(c2ccc(C(F)(F)F)c(F)c2)C1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol?
The InChIKey is XADXZVUMUWFKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4O/c1-9-3-2-6-13(19,8-9)10-4-5-11(12(15)7-10)14(16,17)18/h4-5,7,9,19H,2-3,6,8H2,1H3.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol?
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol has a molecular weight of 276.27 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 107287029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).