1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene

C7F10 — CID 15573718

IUPAC1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene
SMILESFC1=C(F)C2(F)C(F)(F)C(F)(F)C1(F)C2(F)F
InChIInChI=1S/C7F10/c8-1-2(9)4(11)5(12,13)3(1,10)6(14,15)7(4,16)17
InChIKeyJIUPHDOASPDSEF-UHFFFAOYSA-N
MW274.06 g/mol
LogP3.49
Rot. Bonds

About 1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene

1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene (PubChem CID 15573718) has the molecular formula C7F10 and a molecular weight of 274.06 g/mol. Its IUPAC name is 1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene
PubChem CID15573718
Molecular FormulaC7F10
Molecular Weight274.06 g/mol
Exact Mass273.98
IUPAC Name1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene
SMILESFC1=C(F)C2(F)C(F)(F)C(F)(F)C1(F)C2(F)F
InChIInChI=1S/C7F10/c8-1-2(9)4(11)5(12,13)3(1,10)6(14,15)7(4,16)17
InChIKeyJIUPHDOASPDSEF-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene (CID 15573718) is 1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene is FC1=C(F)C2(F)C(F)(F)C(F)(F)C1(F)C2(F)F.
What is the InChIKey of 1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene?
The InChIKey is JIUPHDOASPDSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F10/c8-1-2(9)4(11)5(12,13)3(1,10)6(14,15)7(4,16)17.
What are the key properties of 1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene?
1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene has a molecular weight of 274.06 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,5,6,6,7,7-decafluorobicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 15573718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).