1,3-difluoro-2-methylcyclohexene

C7H10F2 — CID 91591192

IUPAC1,3-difluoro-2-methylcyclohexene
SMILESCC1=C(F)CCCC1F
InChIInChI=1S/C7H10F2/c1-5-6(8)3-2-4-7(5)9/h6H,2-4H2,1H3
InChIKeyBDHWXDFFPQWZMM-UHFFFAOYSA-N
MW132.15 g/mol
LogP2.75
Rot. Bonds

About 1,3-difluoro-2-methylcyclohexene

1,3-difluoro-2-methylcyclohexene (PubChem CID 91591192) has the molecular formula C7H10F2 and a molecular weight of 132.15 g/mol. Its IUPAC name is 1,3-difluoro-2-methylcyclohexene.

Molecular Properties

Compound Name1,3-difluoro-2-methylcyclohexene
PubChem CID91591192
Molecular FormulaC7H10F2
Molecular Weight132.15 g/mol
Exact Mass132.08
IUPAC Name1,3-difluoro-2-methylcyclohexene
SMILESCC1=C(F)CCCC1F
InChIInChI=1S/C7H10F2/c1-5-6(8)3-2-4-7(5)9/h6H,2-4H2,1H3
InChIKeyBDHWXDFFPQWZMM-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.15
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-difluoro-2-methylcyclohexene 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 1,3-difluoro-2-methylcyclohexene?
The IUPAC name of 1,3-difluoro-2-methylcyclohexene (CID 91591192) is 1,3-difluoro-2-methylcyclohexene.
What is the SMILES notation for 1,3-difluoro-2-methylcyclohexene?
The canonical SMILES for 1,3-difluoro-2-methylcyclohexene is CC1=C(F)CCCC1F.
What is the InChIKey of 1,3-difluoro-2-methylcyclohexene?
The InChIKey is BDHWXDFFPQWZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2/c1-5-6(8)3-2-4-7(5)9/h6H,2-4H2,1H3.
What are the key properties of 1,3-difluoro-2-methylcyclohexene?
1,3-difluoro-2-methylcyclohexene has a molecular weight of 132.15 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methylcyclohexene is sourced from PubChem (CID 91591192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).