4,4-difluoro-1,2-dimethylcyclohexene

C8H12F2 — CID 89117651

IUPAC4,4-difluoro-1,2-dimethylcyclohexene
SMILESCC1=C(C)CC(F)(F)CC1
InChIInChI=1S/C8H12F2/c1-6-3-4-8(9,10)5-7(6)2/h3-5H2,1-2H3
InChIKeyPWVHRSKLNSIFPT-UHFFFAOYSA-N
MW146.18 g/mol
LogP3.14
Rot. Bonds

About 4,4-difluoro-1,2-dimethylcyclohexene

4,4-difluoro-1,2-dimethylcyclohexene (PubChem CID 89117651) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 4,4-difluoro-1,2-dimethylcyclohexene.

Molecular Properties

Compound Name4,4-difluoro-1,2-dimethylcyclohexene
PubChem CID89117651
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name4,4-difluoro-1,2-dimethylcyclohexene
SMILESCC1=C(C)CC(F)(F)CC1
InChIInChI=1S/C8H12F2/c1-6-3-4-8(9,10)5-7(6)2/h3-5H2,1-2H3
InChIKeyPWVHRSKLNSIFPT-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'}

Analyze 4,4-difluoro-1,2-dimethylcyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Dimethylcyclohexene
CID 15480
1-(2,2,2-Trifluoroethyl)-1-cyclohexene
CID 69213320
2-Fluoro-1-methyl-4-(propan-2-ylidene)cyclohex-1-ene
CID 86582995
1-Butyl-3,3-difluoro-2-octylcyclopropene
CID 101781897
3,3,4,4-Tetrafluoro-1,2-dipropylcyclobutene
CID 276075
1-Decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene
CID 10968037
3,3-Difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene
CID 11806048
3,3-Difluoro-1,2-dipropylcyclopropene
CID 15709094
1-Fluoro-2-(trifluoromethyl)cyclohexene
CID 18960116
5-Chloro-1,2-dimethyl-4,4,5-trifluorocyclohexene
CID 19593683
1,1,1,2,2,6,6,7,7,7-Decafluoro-4-(1,1,1-trifluoropropan-2-ylidene)heptane
CID 20676945
1-Fluoro-2-methylcyclohexene
CID 23443588

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1,2-dimethylcyclohexene?
The IUPAC name of 4,4-difluoro-1,2-dimethylcyclohexene (CID 89117651) is 4,4-difluoro-1,2-dimethylcyclohexene.
What is the SMILES notation for 4,4-difluoro-1,2-dimethylcyclohexene?
The canonical SMILES for 4,4-difluoro-1,2-dimethylcyclohexene is CC1=C(C)CC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1,2-dimethylcyclohexene?
The InChIKey is PWVHRSKLNSIFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-6-3-4-8(9,10)5-7(6)2/h3-5H2,1-2H3.
What are the key properties of 4,4-difluoro-1,2-dimethylcyclohexene?
4,4-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 4,4-difluoro-1,2-dimethylcyclohexene is sourced from PubChem (CID 89117651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).