4-(trifluoromethyl)cyclohex-2-en-1-ol

C7H9F3O — CID 138465226

IUPAC4-(trifluoromethyl)cyclohex-2-en-1-ol
SMILESOC1C=CC(C(F)(F)F)CC1
InChIInChI=1S/C7H9F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1,3,5-6,11H,2,4H2
InChIKeyLBMFERXOUPLXDN-UHFFFAOYSA-N
MW166.14 g/mol
LogP1.88
Rot. Bonds

About 4-(trifluoromethyl)cyclohex-2-en-1-ol

4-(trifluoromethyl)cyclohex-2-en-1-ol (PubChem CID 138465226) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-(trifluoromethyl)cyclohex-2-en-1-ol
PubChem CID138465226
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name4-(trifluoromethyl)cyclohex-2-en-1-ol
SMILESOC1C=CC(C(F)(F)F)CC1
InChIInChI=1S/C7H9F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1,3,5-6,11H,2,4H2
InChIKeyLBMFERXOUPLXDN-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(trifluoromethyl)cyclohex-2-en-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 4-(trifluoromethyl)cyclohex-2-en-1-ol?
The IUPAC name of 4-(trifluoromethyl)cyclohex-2-en-1-ol (CID 138465226) is 4-(trifluoromethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4-(trifluoromethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 4-(trifluoromethyl)cyclohex-2-en-1-ol is OC1C=CC(C(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethyl)cyclohex-2-en-1-ol?
The InChIKey is LBMFERXOUPLXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1,3,5-6,11H,2,4H2.
What are the key properties of 4-(trifluoromethyl)cyclohex-2-en-1-ol?
4-(trifluoromethyl)cyclohex-2-en-1-ol has a molecular weight of 166.14 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 138465226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).