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

C11H9F9 — CID 19371850

IUPAC2-(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)C1=C2CCC(C2)C1
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/h5H,1-4H2
InChIKeyZRXRDIVIQFLNDG-UHFFFAOYSA-N
MW312.18 g/mol
LogP4.95
Rot. Bonds3

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

2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene (PubChem CID 19371850) has the molecular formula C11H9F9 and a molecular weight of 312.18 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene
PubChem CID19371850
Molecular FormulaC11H9F9
Molecular Weight312.18 g/mol
Exact Mass312.06
IUPAC Name2-(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)C1=C2CCC(C2)C1
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/h5H,1-4H2
InChIKeyZRXRDIVIQFLNDG-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
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 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene (CID 19371850) is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 2-(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)C1=C2CCC(C2)C1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene?
The InChIKey is ZRXRDIVIQFLNDG-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/h5H,1-4H2.
What are the key properties of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene?
2-(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 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 19371850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).