4-(difluoromethyl)cyclohexene

C7H10F2 — CID 13431156

IUPAC4-(difluoromethyl)cyclohexene
SMILESFC(F)C1CC=CCC1
InChIInChI=1S/C7H10F2/c8-7(9)6-4-2-1-3-5-6/h1-2,6-7H,3-5H2
InChIKeyKWHSQDHUSWGTOH-UHFFFAOYSA-N
MW132.15 g/mol
LogP2.61
Rot. Bonds1

About 4-(difluoromethyl)cyclohexene

4-(difluoromethyl)cyclohexene (PubChem CID 13431156) has the molecular formula C7H10F2 and a molecular weight of 132.15 g/mol. Its IUPAC name is 4-(difluoromethyl)cyclohexene.

Molecular Properties

Compound Name4-(difluoromethyl)cyclohexene
PubChem CID13431156
Molecular FormulaC7H10F2
Molecular Weight132.15 g/mol
Exact Mass132.08
IUPAC Name4-(difluoromethyl)cyclohexene
SMILESFC(F)C1CC=CCC1
InChIInChI=1S/C7H10F2/c8-7(9)6-4-2-1-3-5-6/h1-2,6-7H,3-5H2
InChIKeyKWHSQDHUSWGTOH-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.15
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)cyclohexene?
The IUPAC name of 4-(difluoromethyl)cyclohexene (CID 13431156) is 4-(difluoromethyl)cyclohexene.
What is the SMILES notation for 4-(difluoromethyl)cyclohexene?
The canonical SMILES for 4-(difluoromethyl)cyclohexene is FC(F)C1CC=CCC1.
What is the InChIKey of 4-(difluoromethyl)cyclohexene?
The InChIKey is KWHSQDHUSWGTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2/c8-7(9)6-4-2-1-3-5-6/h1-2,6-7H,3-5H2.
What are the key properties of 4-(difluoromethyl)cyclohexene?
4-(difluoromethyl)cyclohexene has a molecular weight of 132.15 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)cyclohexene is sourced from PubChem (CID 13431156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).