1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene

C7H4F6 — CID 583926

IUPAC1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene
SMILESFC1=C(F)C2(F)CCC1(F)C2(F)F
InChIInChI=1S/C7H4F6/c8-3-4(9)6(11)2-1-5(3,10)7(6,12)13/h1-2H2
InChIKeyWOQNGFSORPSJFQ-UHFFFAOYSA-N
MW202.10 g/mol
LogP3.00
Rot. Bonds

About 1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene

1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene (PubChem CID 583926) has the molecular formula C7H4F6 and a molecular weight of 202.10 g/mol. Its IUPAC name is 1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene
PubChem CID583926
Molecular FormulaC7H4F6
Molecular Weight202.10 g/mol
Exact Mass202.02
IUPAC Name1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene
SMILESFC1=C(F)C2(F)CCC1(F)C2(F)F
InChIInChI=1S/C7H4F6/c8-3-4(9)6(11)2-1-5(3,10)7(6,12)13/h1-2H2
InChIKeyWOQNGFSORPSJFQ-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.10
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,7,7-hexafluorobicyclo[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 1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene (CID 583926) is 1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene is FC1=C(F)C2(F)CCC1(F)C2(F)F.
What is the InChIKey of 1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene?
The InChIKey is WOQNGFSORPSJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6/c8-3-4(9)6(11)2-1-5(3,10)7(6,12)13/h1-2H2.
What are the key properties of 1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene?
1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene has a molecular weight of 202.10 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 583926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).