1-methyl-5-(trifluoromethyl)cyclohexene

C8H11F3 — CID 89002934

IUPAC1-methyl-5-(trifluoromethyl)cyclohexene
SMILESCC1=CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H11F3/c1-6-3-2-4-7(5-6)8(9,10)11/h3,7H,2,4-5H2,1H3
InChIKeyZEHWTSIYYLESGD-UHFFFAOYSA-N
MW164.17 g/mol
LogP3.30
Rot. Bonds

About 1-methyl-5-(trifluoromethyl)cyclohexene

1-methyl-5-(trifluoromethyl)cyclohexene (PubChem CID 89002934) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)cyclohexene
PubChem CID89002934
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name1-methyl-5-(trifluoromethyl)cyclohexene
SMILESCC1=CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H11F3/c1-6-3-2-4-7(5-6)8(9,10)11/h3,7H,2,4-5H2,1H3
InChIKeyZEHWTSIYYLESGD-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-5-(trifluoromethyl)cyclohexene 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 1-methyl-5-(trifluoromethyl)cyclohexene?
The IUPAC name of 1-methyl-5-(trifluoromethyl)cyclohexene (CID 89002934) is 1-methyl-5-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)cyclohexene?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)cyclohexene is CC1=CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)cyclohexene?
The InChIKey is ZEHWTSIYYLESGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3/c1-6-3-2-4-7(5-6)8(9,10)11/h3,7H,2,4-5H2,1H3.
What are the key properties of 1-methyl-5-(trifluoromethyl)cyclohexene?
1-methyl-5-(trifluoromethyl)cyclohexene has a molecular weight of 164.17 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 89002934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).