3-(trifluoromethyl)cyclohexan-1-ol

C7H11F3O — CID 2777487

IUPAC3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C7H11F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6,11H,1-4H2
InChIKeyWGZGFRDYYXKLRB-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.10
Rot. Bonds

About 3-(trifluoromethyl)cyclohexan-1-ol

3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 2777487) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID2777487
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C7H11F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6,11H,1-4H2
InChIKeyWGZGFRDYYXKLRB-UHFFFAOYSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(trifluoromethyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(trifluoromethyl)cyclohexan-1-ol (CID 2777487) is 3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(trifluoromethyl)cyclohexan-1-ol is OC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is WGZGFRDYYXKLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6,11H,1-4H2.
What are the key properties of 3-(trifluoromethyl)cyclohexan-1-ol?
3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 168.16 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 2777487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).