5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

C9H7F7 — CID 58779461

IUPAC5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1C2C=CC(C2)C1(F)C(F)(F)F
InChIInChI=1S/C9H7F7/c10-7(9(14,15)16)5-2-1-4(3-5)6(7)8(11,12)13/h1-2,4-6H,3H2
InChIKeyWVKKWJRSOFAZHG-UHFFFAOYSA-N
MW248.14 g/mol
LogP3.64
Rot. Bonds

About 5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 58779461) has the molecular formula C9H7F7 and a molecular weight of 248.14 g/mol. Its IUPAC name is 5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID58779461
Molecular FormulaC9H7F7
Molecular Weight248.14 g/mol
Exact Mass248.04
IUPAC Name5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1C2C=CC(C2)C1(F)C(F)(F)F
InChIInChI=1S/C9H7F7/c10-7(9(14,15)16)5-2-1-4(3-5)6(7)8(11,12)13/h1-2,4-6H,3H2
InChIKeyWVKKWJRSOFAZHG-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (CID 58779461) is 5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is FC(F)(F)C1C2C=CC(C2)C1(F)C(F)(F)F.
What is the InChIKey of 5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is WVKKWJRSOFAZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F7/c10-7(9(14,15)16)5-2-1-4(3-5)6(7)8(11,12)13/h1-2,4-6H,3H2.
What are the key properties of 5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 248.14 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 58779461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).