5-chloro-1-(difluoromethyl)cyclohexene

C7H9ClF2 — CID 175546372

IUPAC5-chloro-1-(difluoromethyl)cyclohexene
SMILESFC(F)C1=CCCC(Cl)C1
InChIInChI=1S/C7H9ClF2/c8-6-3-1-2-5(4-6)7(9)10/h2,6-7H,1,3-4H2
InChIKeyMBYZZUUTGBIRGZ-UHFFFAOYSA-N
MW166.60 g/mol
LogP2.97
Rot. Bonds1

About 5-chloro-1-(difluoromethyl)cyclohexene

5-chloro-1-(difluoromethyl)cyclohexene (PubChem CID 175546372) has the molecular formula C7H9ClF2 and a molecular weight of 166.60 g/mol. Its IUPAC name is 5-chloro-1-(difluoromethyl)cyclohexene.

Molecular Properties

Compound Name5-chloro-1-(difluoromethyl)cyclohexene
PubChem CID175546372
Molecular FormulaC7H9ClF2
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Name5-chloro-1-(difluoromethyl)cyclohexene
SMILESFC(F)C1=CCCC(Cl)C1
InChIInChI=1S/C7H9ClF2/c8-6-3-1-2-5(4-6)7(9)10/h2,6-7H,1,3-4H2
InChIKeyMBYZZUUTGBIRGZ-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(difluoromethyl)cyclohexene?
The IUPAC name of 5-chloro-1-(difluoromethyl)cyclohexene (CID 175546372) is 5-chloro-1-(difluoromethyl)cyclohexene.
What is the SMILES notation for 5-chloro-1-(difluoromethyl)cyclohexene?
The canonical SMILES for 5-chloro-1-(difluoromethyl)cyclohexene is FC(F)C1=CCCC(Cl)C1.
What is the InChIKey of 5-chloro-1-(difluoromethyl)cyclohexene?
The InChIKey is MBYZZUUTGBIRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2/c8-6-3-1-2-5(4-6)7(9)10/h2,6-7H,1,3-4H2.
What are the key properties of 5-chloro-1-(difluoromethyl)cyclohexene?
5-chloro-1-(difluoromethyl)cyclohexene has a molecular weight of 166.60 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(difluoromethyl)cyclohexene is sourced from PubChem (CID 175546372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).