5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene

C15H8F18 — CID 14024092

IUPAC5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1C2C=CC(C2)C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H8F18/c16-8(17,10(20,21)12(24,25)14(28,29)30)6-4-1-2-5(3-4)7(6)9(18,19)11(22,23)13(26,27)15(31,32)33/h1-2,4-7H,3H2
InChIKeyFCGUWOBMUDCVFI-UHFFFAOYSA-N
MW530.19 g/mol
LogP7.36
Rot. Bonds6

About 5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene

5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 14024092) has the molecular formula C15H8F18 and a molecular weight of 530.19 g/mol. Its IUPAC name is 5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
PubChem CID14024092
Molecular FormulaC15H8F18
Molecular Weight530.19 g/mol
Exact Mass530.03
IUPAC Name5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1C2C=CC(C2)C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H8F18/c16-8(17,10(20,21)12(24,25)14(28,29)30)6-4-1-2-5(3-4)7(6)9(18,19)11(22,23)13(26,27)15(31,32)33/h1-2,4-7H,3H2
InChIKeyFCGUWOBMUDCVFI-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.19
LogP ≤ 57.36
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 5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene (CID 14024092) is 5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1C2C=CC(C2)C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is FCGUWOBMUDCVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F18/c16-8(17,10(20,21)12(24,25)14(28,29)30)6-4-1-2-5(3-4)7(6)9(18,19)11(22,23)13(26,27)15(31,32)33/h1-2,4-7H,3H2.
What are the key properties of 5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene?
5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 530.19 g/mol, XLogP of 7.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 14024092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).