6-chloro-4-fluoro-1-methylcyclohexene

C7H10ClF — CID 89093890

IUPAC6-chloro-4-fluoro-1-methylcyclohexene
SMILESCC1=CCC(F)CC1Cl
InChIInChI=1S/C7H10ClF/c1-5-2-3-6(9)4-7(5)8/h2,6-7H,3-4H2,1H3
InChIKeyKJNLUGSKCIHEEA-UHFFFAOYSA-N
MW148.61 g/mol
LogP2.67
Rot. Bonds

About 6-chloro-4-fluoro-1-methylcyclohexene

6-chloro-4-fluoro-1-methylcyclohexene (PubChem CID 89093890) has the molecular formula C7H10ClF and a molecular weight of 148.61 g/mol. Its IUPAC name is 6-chloro-4-fluoro-1-methylcyclohexene.

Molecular Properties

Compound Name6-chloro-4-fluoro-1-methylcyclohexene
PubChem CID89093890
Molecular FormulaC7H10ClF
Molecular Weight148.61 g/mol
Exact Mass148.05
IUPAC Name6-chloro-4-fluoro-1-methylcyclohexene
SMILESCC1=CCC(F)CC1Cl
InChIInChI=1S/C7H10ClF/c1-5-2-3-6(9)4-7(5)8/h2,6-7H,3-4H2,1H3
InChIKeyKJNLUGSKCIHEEA-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S,6E)-3,5,8-trichloro-2,6-dimethylocta-1,6-diene
CID 21630816
(3S,5R,6E)-3,5,8-trichloro-2,6-dimethylocta-1,6-diene
CID 21630817
Cyclohexene, 1-(chloromethyl)-
CID 11974168
3-Chloro-1-methylcyclohex-1-ene
CID 13741597
7-Chloro-1-fluorocycloheptene
CID 132604534
6-Chloro-1-methylcyclohexene
CID 12550098
(E)-6-chloro-3-methylhex-2-ene
CID 21338183
5-Chloro-1-methyl-4,4,5-trifluorocyclohexene
CID 10867025
4-Chloro-1-methyl-4,5,5-trifluorocyclohexene
CID 10932120
4-Chloro-1-fluorocyclohexene
CID 23443589
5-Chloro-6-fluoro-1,4-dimethylcyclohexa-1,3-diene
CID 68010480
5-Chloro-1-fluoro-4-methylcyclohexa-1,3-diene
CID 89003712

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-fluoro-1-methylcyclohexene?
The IUPAC name of 6-chloro-4-fluoro-1-methylcyclohexene (CID 89093890) is 6-chloro-4-fluoro-1-methylcyclohexene.
What is the SMILES notation for 6-chloro-4-fluoro-1-methylcyclohexene?
The canonical SMILES for 6-chloro-4-fluoro-1-methylcyclohexene is CC1=CCC(F)CC1Cl.
What is the InChIKey of 6-chloro-4-fluoro-1-methylcyclohexene?
The InChIKey is KJNLUGSKCIHEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF/c1-5-2-3-6(9)4-7(5)8/h2,6-7H,3-4H2,1H3.
What are the key properties of 6-chloro-4-fluoro-1-methylcyclohexene?
6-chloro-4-fluoro-1-methylcyclohexene has a molecular weight of 148.61 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluoro-1-methylcyclohexene is sourced from PubChem (CID 89093890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).