3-chloro-2-fluoro-1-methylcyclohexene

C7H10ClF — CID 167190783

IUPAC3-chloro-2-fluoro-1-methylcyclohexene
SMILESCC1=C(F)C(Cl)CCC1
InChIInChI=1S/C7H10ClF/c1-5-3-2-4-6(8)7(5)9/h6H,2-4H2,1H3
InChIKeyQZDKHNAUBYWROX-UHFFFAOYSA-N
MW148.61 g/mol
LogP3.02
Rot. Bonds

About 3-chloro-2-fluoro-1-methylcyclohexene

3-chloro-2-fluoro-1-methylcyclohexene (PubChem CID 167190783) has the molecular formula C7H10ClF and a molecular weight of 148.61 g/mol. Its IUPAC name is 3-chloro-2-fluoro-1-methylcyclohexene.

Molecular Properties

Compound Name3-chloro-2-fluoro-1-methylcyclohexene
PubChem CID167190783
Molecular FormulaC7H10ClF
Molecular Weight148.61 g/mol
Exact Mass148.05
IUPAC Name3-chloro-2-fluoro-1-methylcyclohexene
SMILESCC1=C(F)C(Cl)CCC1
InChIInChI=1S/C7H10ClF/c1-5-3-2-4-6(8)7(5)9/h6H,2-4H2,1H3
InChIKeyQZDKHNAUBYWROX-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.61
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-chloro-2-fluoro-1-methylcyclohexene with MolForge

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

Launch Full Analysis

Related Compounds

1-Chloro-2-methylcyclohexene
CID 565361
3-Chloro-1-methylcyclohex-1-ene
CID 13741597
6-Chloro-1-methylcyclohexene
CID 12550098
6-Chloro-4-fluoro-1-methylcyclohexene
CID 89093890
5-Chloro-4-fluoro-1-methylcyclohexene
CID 124035670
(4S)-1-(chloromethyl)-4-fluorocyclohexene
CID 132196573
3-Chloro-1-fluoro-2-methylcyclohexene
CID 134534579
1-Chloro-2-(2-fluoroethyl)cyclohexene
CID 162785188
1-Chloro-2-(trifluoromethyl)cyclohexene
CID 162785189
3-Chloro-1-fluoro-2-methylcycloheptene
CID 164055430
1-Chloro-2-(fluoromethyl)cyclohexene
CID 166984241
1-Chloro-2-(chloromethyl)cyclohex-1-ene
CID 12611394

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-1-methylcyclohexene?
The IUPAC name of 3-chloro-2-fluoro-1-methylcyclohexene (CID 167190783) is 3-chloro-2-fluoro-1-methylcyclohexene.
What is the SMILES notation for 3-chloro-2-fluoro-1-methylcyclohexene?
The canonical SMILES for 3-chloro-2-fluoro-1-methylcyclohexene is CC1=C(F)C(Cl)CCC1.
What is the InChIKey of 3-chloro-2-fluoro-1-methylcyclohexene?
The InChIKey is QZDKHNAUBYWROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF/c1-5-3-2-4-6(8)7(5)9/h6H,2-4H2,1H3.
What are the key properties of 3-chloro-2-fluoro-1-methylcyclohexene?
3-chloro-2-fluoro-1-methylcyclohexene has a molecular weight of 148.61 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-1-methylcyclohexene is sourced from PubChem (CID 167190783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).