2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene

C12H10F8 — CID 88896348

IUPAC2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)CC1=CC2C=CC1C2
InChIInChI=1S/C12H10F8/c13-9(14)11(17,18)12(19,20)10(15,16)5-8-4-6-1-2-7(8)3-6/h1-2,4,6-7,9H,3,5H2
InChIKeyMPRIOKSWSNIPQZ-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.68
Rot. Bonds5

About 2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene

2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene (PubChem CID 88896348) has the molecular formula C12H10F8 and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene
PubChem CID88896348
Molecular FormulaC12H10F8
Molecular Weight306.20 g/mol
Exact Mass306.07
IUPAC Name2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)CC1=CC2C=CC1C2
InChIInChI=1S/C12H10F8/c13-9(14)11(17,18)12(19,20)10(15,16)5-8-4-6-1-2-7(8)3-6/h1-2,4,6-7,9H,3,5H2
InChIKeyMPRIOKSWSNIPQZ-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.68
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 2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene 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 2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene (CID 88896348) is 2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene is FC(F)C(F)(F)C(F)(F)C(F)(F)CC1=CC2C=CC1C2.
What is the InChIKey of 2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is MPRIOKSWSNIPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F8/c13-9(14)11(17,18)12(19,20)10(15,16)5-8-4-6-1-2-7(8)3-6/h1-2,4,6-7,9H,3,5H2.
What are the key properties of 2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene?
2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 306.20 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,5,5-octafluoropentyl)bicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 88896348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).