3,3-difluoro-1-methylcyclohexene

C7H10F2 — CID 148854064

IUPAC3,3-difluoro-1-methylcyclohexene
SMILESCC1=CC(F)(F)CCC1
InChIInChI=1S/C7H10F2/c1-6-3-2-4-7(8,9)5-6/h5H,2-4H2,1H3
InChIKeyOXZYYFXEWGSIHQ-UHFFFAOYSA-N
MW132.15 g/mol
LogP2.75
Rot. Bonds

About 3,3-difluoro-1-methylcyclohexene

3,3-difluoro-1-methylcyclohexene (PubChem CID 148854064) has the molecular formula C7H10F2 and a molecular weight of 132.15 g/mol. Its IUPAC name is 3,3-difluoro-1-methylcyclohexene.

Molecular Properties

Compound Name3,3-difluoro-1-methylcyclohexene
PubChem CID148854064
Molecular FormulaC7H10F2
Molecular Weight132.15 g/mol
Exact Mass132.08
IUPAC Name3,3-difluoro-1-methylcyclohexene
SMILESCC1=CC(F)(F)CCC1
InChIInChI=1S/C7H10F2/c1-6-3-2-4-7(8,9)5-6/h5H,2-4H2,1H3
InChIKeyOXZYYFXEWGSIHQ-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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Related Compounds

1-Methylcyclohexene
CID 11574
5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-2-ene
CID 71331659
1,1,1,2,2,3,3,4,4-Nonafluoro-5-methylundec-5-ene
CID 85549144
3,3-Difluoro-1-octylcycloprop-1-ene
CID 15709092
1-(Difluoromethyl)cyclohexene
CID 13431149
2-(Trifluoromethyl)cyclohexene
CID 13431162
5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-methyldec-2-ene
CID 21254186
1-(2,2,2-Trifluoroethyl)-1-cyclohexene
CID 69213320
1-(Nonafluorobutyl)cyclohexene
CID 11370031
1-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 85624189
5-(2,2,2-Trifluoroethylidene)nonane
CID 121217681
5-(3,3,3-Trifluoro-propylidene)-nonane
CID 14400285

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylcyclohexene?
The IUPAC name of 3,3-difluoro-1-methylcyclohexene (CID 148854064) is 3,3-difluoro-1-methylcyclohexene.
What is the SMILES notation for 3,3-difluoro-1-methylcyclohexene?
The canonical SMILES for 3,3-difluoro-1-methylcyclohexene is CC1=CC(F)(F)CCC1.
What is the InChIKey of 3,3-difluoro-1-methylcyclohexene?
The InChIKey is OXZYYFXEWGSIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2/c1-6-3-2-4-7(8,9)5-6/h5H,2-4H2,1H3.
What are the key properties of 3,3-difluoro-1-methylcyclohexene?
3,3-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 3,3-difluoro-1-methylcyclohexene is sourced from PubChem (CID 148854064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).