6-chloro-1-fluoro-3-methylcyclohexene

C7H10ClF — CID 89143029

IUPAC6-chloro-1-fluoro-3-methylcyclohexene
SMILESCC1C=C(F)C(Cl)CC1
InChIInChI=1S/C7H10ClF/c1-5-2-3-6(8)7(9)4-5/h4-6H,2-3H2,1H3
InChIKeyMXDLQXABKAFGFT-UHFFFAOYSA-N
MW148.61 g/mol
LogP2.88
Rot. Bonds

About 6-chloro-1-fluoro-3-methylcyclohexene

6-chloro-1-fluoro-3-methylcyclohexene (PubChem CID 89143029) has the molecular formula C7H10ClF and a molecular weight of 148.61 g/mol. Its IUPAC name is 6-chloro-1-fluoro-3-methylcyclohexene.

Molecular Properties

Compound Name6-chloro-1-fluoro-3-methylcyclohexene
PubChem CID89143029
Molecular FormulaC7H10ClF
Molecular Weight148.61 g/mol
Exact Mass148.05
IUPAC Name6-chloro-1-fluoro-3-methylcyclohexene
SMILESCC1C=C(F)C(Cl)CC1
InChIInChI=1S/C7H10ClF/c1-5-2-3-6(8)7(9)4-5/h4-6H,2-3H2,1H3
InChIKeyMXDLQXABKAFGFT-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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 6-chloro-1-fluoro-3-methylcyclohexene?
The IUPAC name of 6-chloro-1-fluoro-3-methylcyclohexene (CID 89143029) is 6-chloro-1-fluoro-3-methylcyclohexene.
What is the SMILES notation for 6-chloro-1-fluoro-3-methylcyclohexene?
The canonical SMILES for 6-chloro-1-fluoro-3-methylcyclohexene is CC1C=C(F)C(Cl)CC1.
What is the InChIKey of 6-chloro-1-fluoro-3-methylcyclohexene?
The InChIKey is MXDLQXABKAFGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF/c1-5-2-3-6(8)7(9)4-5/h4-6H,2-3H2,1H3.
What are the key properties of 6-chloro-1-fluoro-3-methylcyclohexene?
6-chloro-1-fluoro-3-methylcyclohexene has a molecular weight of 148.61 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-fluoro-3-methylcyclohexene is sourced from PubChem (CID 89143029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).