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

C11H9F9 — CID 18929018

IUPAC5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CC2=CCC1C2
InChIInChI=1S/C11H9F9/c12-8(13,7-4-5-1-2-6(7)3-5)9(14,15)10(16,17)11(18,19)20/h1,6-7H,2-4H2
InChIKeyIVWOIAXJTBGRIU-UHFFFAOYSA-N
MW312.18 g/mol
LogP4.81
Rot. Bonds3

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

5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene (PubChem CID 18929018) has the molecular formula C11H9F9 and a molecular weight of 312.18 g/mol. Its IUPAC name is 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene
PubChem CID18929018
Molecular FormulaC11H9F9
Molecular Weight312.18 g/mol
Exact Mass312.06
IUPAC Name5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CC2=CCC1C2
InChIInChI=1S/C11H9F9/c12-8(13,7-4-5-1-2-6(7)3-5)9(14,15)10(16,17)11(18,19)20/h1,6-7H,2-4H2
InChIKeyIVWOIAXJTBGRIU-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 54.81
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 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene?
The IUPAC name of 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene (CID 18929018) is 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CC2=CCC1C2.
What is the InChIKey of 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene?
The InChIKey is IVWOIAXJTBGRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F9/c12-8(13,7-4-5-1-2-6(7)3-5)9(14,15)10(16,17)11(18,19)20/h1,6-7H,2-4H2.
What are the key properties of 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene?
5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene has a molecular weight of 312.18 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 18929018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).