3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene

C8H10F4 — CID 122631116

IUPAC3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene
SMILESCC1=C(C)C(F)(F)CCC1(F)F
InChIInChI=1S/C8H10F4/c1-5-6(2)8(11,12)4-3-7(5,9)10/h3-4H2,1-2H3
InChIKeyTVAFIFFOHPKWQJ-UHFFFAOYSA-N
MW182.16 g/mol
LogP3.39
Rot. Bonds

About 3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene

3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene (PubChem CID 122631116) has the molecular formula C8H10F4 and a molecular weight of 182.16 g/mol. Its IUPAC name is 3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene.

Molecular Properties

Compound Name3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene
PubChem CID122631116
Molecular FormulaC8H10F4
Molecular Weight182.16 g/mol
Exact Mass182.07
IUPAC Name3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene
SMILESCC1=C(C)C(F)(F)CCC1(F)F
InChIInChI=1S/C8H10F4/c1-5-6(2)8(11,12)4-3-7(5,9)10/h3-4H2,1-2H3
InChIKeyTVAFIFFOHPKWQJ-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,3,6,6-tetrafluoro-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

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene?
The IUPAC name of 3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene (CID 122631116) is 3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene.
What is the SMILES notation for 3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene?
The canonical SMILES for 3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene is CC1=C(C)C(F)(F)CCC1(F)F.
What is the InChIKey of 3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene?
The InChIKey is TVAFIFFOHPKWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4/c1-5-6(2)8(11,12)4-3-7(5,9)10/h3-4H2,1-2H3.
What are the key properties of 3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene?
3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene has a molecular weight of 182.16 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetrafluoro-1,2-dimethylcyclohexene is sourced from PubChem (CID 122631116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).