5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene

C12H12F8 — CID 88896278

IUPAC5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)CC1CC2C=CC1C2
InChIInChI=1S/C12H12F8/c13-9(14)11(17,18)12(19,20)10(15,16)5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
InChIKeyCBHGEKHDBGHZBY-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.76
Rot. Bonds5

About 5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene

5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 88896278) has the molecular formula C12H12F8 and a molecular weight of 308.21 g/mol. Its IUPAC name is 5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene
PubChem CID88896278
Molecular FormulaC12H12F8
Molecular Weight308.21 g/mol
Exact Mass308.08
IUPAC Name5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)CC1CC2C=CC1C2
InChIInChI=1S/C12H12F8/c13-9(14)11(17,18)12(19,20)10(15,16)5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2
InChIKeyCBHGEKHDBGHZBY-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.76
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-(2,2,3,3,4,4,5,5-octafluoropentyl)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-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene (CID 88896278) is 5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene is FC(F)C(F)(F)C(F)(F)C(F)(F)CC1CC2C=CC1C2.
What is the InChIKey of 5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is CBHGEKHDBGHZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F8/c13-9(14)11(17,18)12(19,20)10(15,16)5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2.
What are the key properties of 5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene?
5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 308.21 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 88896278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).