5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene

C8H6F6 — CID 22480612

IUPAC5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene
SMILESFC(F)(F)C1(F)C2=CCC(C2)C1(F)F
InChIInChI=1S/C8H6F6/c9-6(8(12,13)14)4-1-2-5(3-4)7(6,10)11/h1,5H,2-3H2
InChIKeyXRGGYMZBVCUWSK-UHFFFAOYSA-N
MW216.12 g/mol
LogP3.24
Rot. Bonds

About 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene

5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene (PubChem CID 22480612) has the molecular formula C8H6F6 and a molecular weight of 216.12 g/mol. Its IUPAC name is 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene.

Molecular Properties

Compound Name5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene
PubChem CID22480612
Molecular FormulaC8H6F6
Molecular Weight216.12 g/mol
Exact Mass216.04
IUPAC Name5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene
SMILESFC(F)(F)C1(F)C2=CCC(C2)C1(F)F
InChIInChI=1S/C8H6F6/c9-6(8(12,13)14)4-1-2-5(3-4)7(6,10)11/h1,5H,2-3H2
InChIKeyXRGGYMZBVCUWSK-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 53.24
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 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene?
The IUPAC name of 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene (CID 22480612) is 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene.
What is the SMILES notation for 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene?
The canonical SMILES for 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene is FC(F)(F)C1(F)C2=CCC(C2)C1(F)F.
What is the InChIKey of 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene?
The InChIKey is XRGGYMZBVCUWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6/c9-6(8(12,13)14)4-1-2-5(3-4)7(6,10)11/h1,5H,2-3H2.
What are the key properties of 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene?
5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene has a molecular weight of 216.12 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6-trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene is sourced from PubChem (CID 22480612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).