3-chloro-1-fluoro-2-methylcyclohexene

C7H10ClF — CID 134534579

IUPAC3-chloro-1-fluoro-2-methylcyclohexene
SMILESCC1=C(F)CCCC1Cl
InChIInChI=1S/C7H10ClF/c1-5-6(8)3-2-4-7(5)9/h6H,2-4H2,1H3
InChIKeyWZDGEHMMPUBMOA-UHFFFAOYSA-N
MW148.61 g/mol
LogP3.02
Rot. Bonds

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

3-chloro-1-fluoro-2-methylcyclohexene (PubChem CID 134534579) has the molecular formula C7H10ClF and a molecular weight of 148.61 g/mol. Its IUPAC name is 3-chloro-1-fluoro-2-methylcyclohexene.

Molecular Properties

Compound Name3-chloro-1-fluoro-2-methylcyclohexene
PubChem CID134534579
Molecular FormulaC7H10ClF
Molecular Weight148.61 g/mol
Exact Mass148.05
IUPAC Name3-chloro-1-fluoro-2-methylcyclohexene
SMILESCC1=C(F)CCCC1Cl
InChIInChI=1S/C7H10ClF/c1-5-6(8)3-2-4-7(5)9/h6H,2-4H2,1H3
InChIKeyWZDGEHMMPUBMOA-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-fluoro-2-methylcyclohexene?
The IUPAC name of 3-chloro-1-fluoro-2-methylcyclohexene (CID 134534579) is 3-chloro-1-fluoro-2-methylcyclohexene.
What is the SMILES notation for 3-chloro-1-fluoro-2-methylcyclohexene?
The canonical SMILES for 3-chloro-1-fluoro-2-methylcyclohexene is CC1=C(F)CCCC1Cl.
What is the InChIKey of 3-chloro-1-fluoro-2-methylcyclohexene?
The InChIKey is WZDGEHMMPUBMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF/c1-5-6(8)3-2-4-7(5)9/h6H,2-4H2,1H3.
What are the key properties of 3-chloro-1-fluoro-2-methylcyclohexene?
3-chloro-1-fluoro-2-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-1-fluoro-2-methylcyclohexene is sourced from PubChem (CID 134534579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).