5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

C11H6F12 — CID 13395536

IUPAC5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1(C(F)(F)F)C2C=CC(C2)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F12/c12-8(13,14)6(9(15,16)17)4-1-2-5(3-4)7(6,10(18,19)20)11(21,22)23/h1-2,4-5H,3H2
InChIKeyDCSRANNUZMQMBI-UHFFFAOYSA-N
MW366.15 g/mol
LogP5.41
Rot. Bonds

About 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 13395536) has the molecular formula C11H6F12 and a molecular weight of 366.15 g/mol. Its IUPAC name is 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID13395536
Molecular FormulaC11H6F12
Molecular Weight366.15 g/mol
Exact Mass366.03
IUPAC Name5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1(C(F)(F)F)C2C=CC(C2)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F12/c12-8(13,14)6(9(15,16)17)4-1-2-5(3-4)7(6,10(18,19)20)11(21,22)23/h1-2,4-5H,3H2
InChIKeyDCSRANNUZMQMBI-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.15
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[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

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (CID 13395536) is 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is FC(F)(F)C1(C(F)(F)F)C2C=CC(C2)C1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is DCSRANNUZMQMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F12/c12-8(13,14)6(9(15,16)17)4-1-2-5(3-4)7(6,10(18,19)20)11(21,22)23/h1-2,4-5H,3H2.
What are the key properties of 5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
5,5,6,6-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 366.15 g/mol, XLogP of 5.41, 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-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 13395536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).