1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene

C12H12F8 — CID 175913012

IUPAC1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene
SMILESCC(F)(C12C=CC(CC1)C2)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H12F8/c1-8(13,9-4-2-7(6-9)3-5-9)10(14,15)11(16,17)12(18,19)20/h2,4,7H,3,5-6H2,1H3
InChIKeyQRJCIKIDCUMQCK-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.90
Rot. Bonds3

About 1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene

1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene (PubChem CID 175913012) has the molecular formula C12H12F8 and a molecular weight of 308.21 g/mol. Its IUPAC name is 1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene
PubChem CID175913012
Molecular FormulaC12H12F8
Molecular Weight308.21 g/mol
Exact Mass308.08
IUPAC Name1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene
SMILESCC(F)(C12C=CC(CC1)C2)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H12F8/c1-8(13,9-4-2-7(6-9)3-5-9)10(14,15)11(16,17)12(18,19)20/h2,4,7H,3,5-6H2,1H3
InChIKeyQRJCIKIDCUMQCK-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.90
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene (CID 175913012) is 1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene is CC(F)(C12C=CC(CC1)C2)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is QRJCIKIDCUMQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F8/c1-8(13,9-4-2-7(6-9)3-5-9)10(14,15)11(16,17)12(18,19)20/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene?
1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 308.21 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3,4,4,5,5,5-octafluoropentan-2-yl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 175913012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).