5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene

C7H6F4 — CID 13395535

IUPAC5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene
SMILESFC1(F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C7H6F4/c8-6(9)4-1-2-5(3-4)7(6,10)11/h1-2,4-5H,3H2
InChIKeyQXRJQSYBWURKHH-UHFFFAOYSA-N
MW166.12 g/mol
LogP2.46
Rot. Bonds

About 5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene

5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene (PubChem CID 13395535) has the molecular formula C7H6F4 and a molecular weight of 166.12 g/mol. Its IUPAC name is 5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene
PubChem CID13395535
Molecular FormulaC7H6F4
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene
SMILESFC1(F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C7H6F4/c8-6(9)4-1-2-5(3-4)7(6,10)11/h1-2,4-5H,3H2
InChIKeyQXRJQSYBWURKHH-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene 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

2,3-Bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 594623
5,5,6-Trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 3429600
5-(Trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 13070154
Trifluoromethylnorbornene
CID 68637001
4,4,5-Trifluoro-5-trifluoromethylcyclohexene
CID 129766155
1,2,3,4,7,7-Hexafluorobicyclo[2.2.1]hept-2-ene
CID 583926
5-Fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 58779461
5-(Difluoromethylidene)bicyclo[2.2.1]hept-2-ene
CID 12769996
3,3,4-Trifluoro-4-trifluoromethyl-cyclohexene
CID 129766094
1,2,3,4,7,7-Hexafluoro-5-vinylbicyclo[2.2.1]hept-2-ene
CID 543102
(1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 10489505
(1S,4R,5S,6R)-5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 21731428

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene (CID 13395535) is 5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene is FC1(F)C2C=CC(C2)C1(F)F.
What is the InChIKey of 5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene?
The InChIKey is QXRJQSYBWURKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4/c8-6(9)4-1-2-5(3-4)7(6,10)11/h1-2,4-5H,3H2.
What are the key properties of 5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene?
5,5,6,6-tetrafluorobicyclo[2.2.1]hept-2-ene has a molecular weight of 166.12 g/mol, XLogP of 2.46, 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-tetrafluorobicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 13395535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).