4,4-difluoro-1-methylcyclohexene

C7H10F2 — CID 122600491

IUPAC4,4-difluoro-1-methylcyclohexene
SMILESCC1=CCC(F)(F)CC1
InChIInChI=1S/C7H10F2/c1-6-2-4-7(8,9)5-3-6/h2H,3-5H2,1H3
InChIKeyQAIACZIMOVBCCH-UHFFFAOYSA-N
MW132.15 g/mol
LogP2.75
Rot. Bonds

About 4,4-difluoro-1-methylcyclohexene

4,4-difluoro-1-methylcyclohexene (PubChem CID 122600491) has the molecular formula C7H10F2 and a molecular weight of 132.15 g/mol. Its IUPAC name is 4,4-difluoro-1-methylcyclohexene.

Molecular Properties

Compound Name4,4-difluoro-1-methylcyclohexene
PubChem CID122600491
Molecular FormulaC7H10F2
Molecular Weight132.15 g/mol
Exact Mass132.08
IUPAC Name4,4-difluoro-1-methylcyclohexene
SMILESCC1=CCC(F)(F)CC1
InChIInChI=1S/C7H10F2/c1-6-2-4-7(8,9)5-3-6/h2H,3-5H2,1H3
InChIKeyQAIACZIMOVBCCH-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.15
LogP ≤ 52.75
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 4,4-difluoro-1-methylcyclohexene?
The IUPAC name of 4,4-difluoro-1-methylcyclohexene (CID 122600491) is 4,4-difluoro-1-methylcyclohexene.
What is the SMILES notation for 4,4-difluoro-1-methylcyclohexene?
The canonical SMILES for 4,4-difluoro-1-methylcyclohexene is CC1=CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-methylcyclohexene?
The InChIKey is QAIACZIMOVBCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2/c1-6-2-4-7(8,9)5-3-6/h2H,3-5H2,1H3.
What are the key properties of 4,4-difluoro-1-methylcyclohexene?
4,4-difluoro-1-methylcyclohexene has a molecular weight of 132.15 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methylcyclohexene is sourced from PubChem (CID 122600491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).