5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

C8H4F8O — CID 14043961

IUPAC5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1(F)C2C=CC(O2)C1(F)C(F)(F)F
InChIInChI=1S/C8H4F8O/c9-5(7(11,12)13)3-1-2-4(17-3)6(5,10)8(14,15)16/h1-4H
InChIKeyKGWCPMLZTYVDQI-UHFFFAOYSA-N
MW268.10 g/mol
LogP2.86
Rot. Bonds

About 5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 14043961) has the molecular formula C8H4F8O and a molecular weight of 268.10 g/mol. Its IUPAC name is 5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID14043961
Molecular FormulaC8H4F8O
Molecular Weight268.10 g/mol
Exact Mass268.01
IUPAC Name5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1(F)C2C=CC(O2)C1(F)C(F)(F)F
InChIInChI=1S/C8H4F8O/c9-5(7(11,12)13)3-1-2-4(17-3)6(5,10)8(14,15)16/h1-4H
InChIKeyKGWCPMLZTYVDQI-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene (CID 14043961) is 5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene is FC(F)(F)C1(F)C2C=CC(O2)C1(F)C(F)(F)F.
What is the InChIKey of 5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is KGWCPMLZTYVDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F8O/c9-5(7(11,12)13)3-1-2-4(17-3)6(5,10)8(14,15)16/h1-4H.
What are the key properties of 5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 268.10 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 14043961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).