3,3-difluoro-1,2-dimethylcyclohexene

C8H12F2 — CID 171768146

IUPAC3,3-difluoro-1,2-dimethylcyclohexene
SMILESCC1=C(C)C(F)(F)CCC1
InChIInChI=1S/C8H12F2/c1-6-4-3-5-8(9,10)7(6)2/h3-5H2,1-2H3
InChIKeyZHDRQMPWMCOITJ-UHFFFAOYSA-N
MW146.18 g/mol
LogP3.14
Rot. Bonds

About 3,3-difluoro-1,2-dimethylcyclohexene

3,3-difluoro-1,2-dimethylcyclohexene (PubChem CID 171768146) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 3,3-difluoro-1,2-dimethylcyclohexene.

Molecular Properties

Compound Name3,3-difluoro-1,2-dimethylcyclohexene
PubChem CID171768146
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name3,3-difluoro-1,2-dimethylcyclohexene
SMILESCC1=C(C)C(F)(F)CCC1
InChIInChI=1S/C8H12F2/c1-6-4-3-5-8(9,10)7(6)2/h3-5H2,1-2H3
InChIKeyZHDRQMPWMCOITJ-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.14
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 3,3-difluoro-1,2-dimethylcyclohexene?
The IUPAC name of 3,3-difluoro-1,2-dimethylcyclohexene (CID 171768146) is 3,3-difluoro-1,2-dimethylcyclohexene.
What is the SMILES notation for 3,3-difluoro-1,2-dimethylcyclohexene?
The canonical SMILES for 3,3-difluoro-1,2-dimethylcyclohexene is CC1=C(C)C(F)(F)CCC1.
What is the InChIKey of 3,3-difluoro-1,2-dimethylcyclohexene?
The InChIKey is ZHDRQMPWMCOITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-6-4-3-5-8(9,10)7(6)2/h3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-1,2-dimethylcyclohexene?
3,3-difluoro-1,2-dimethylcyclohexene has a molecular weight of 146.18 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,2-dimethylcyclohexene is sourced from PubChem (CID 171768146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).