5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene

C8H8F4 — CID 118565483

IUPAC5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene
SMILESCC1=CC=C(C)C(F)(F)C1(F)F
InChIInChI=1S/C8H8F4/c1-5-3-4-6(2)8(11,12)7(5,9)10/h3-4H,1-2H3
InChIKeyXUGVIVKXFKFNOD-UHFFFAOYSA-N
MW180.14 g/mol
LogP3.16
Rot. Bonds

About 5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene

5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene (PubChem CID 118565483) has the molecular formula C8H8F4 and a molecular weight of 180.14 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene
PubChem CID118565483
Molecular FormulaC8H8F4
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene
SMILESCC1=CC=C(C)C(F)(F)C1(F)F
InChIInChI=1S/C8H8F4/c1-5-3-4-6(2)8(11,12)7(5,9)10/h3-4H,1-2H3
InChIKeyXUGVIVKXFKFNOD-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene 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

5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloct-2-ene
CID 71331659
5,6,6,7,7,8,8,8-Octafluoro-2-methylocta-2,4-diene
CID 71429349
1,1,1,2,2,3,3,4,4-Nonafluoro-5-methylundec-5-ene
CID 85549144
5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-methyldec-2-ene
CID 21254186
1-(Nonafluorobutyl)cyclohexene
CID 11370031
1-Methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22171100
1-Fluoro-2-methyl-3-methylidenecyclohex-1-ene
CID 21589414
5,5,6,6,7,7,7-Heptafluoro-2-methyl-2-heptene
CID 24973628
1-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 85624189
1-Trifluoro-methyl-5,5,6-trifluoro-1,3-cyclohexadiene
CID 129690487
Tetrafluorodecadiene
CID 129820641
1,4-Bis(3,3,3-trifluoropropyl)cyclopenta-1,3-diene
CID 134898001

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene (CID 118565483) is 5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene is CC1=CC=C(C)C(F)(F)C1(F)F.
What is the InChIKey of 5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene?
The InChIKey is XUGVIVKXFKFNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4/c1-5-3-4-6(2)8(11,12)7(5,9)10/h3-4H,1-2H3.
What are the key properties of 5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene?
5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene has a molecular weight of 180.14 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrafluoro-1,4-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 118565483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).