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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Related Compounds

3,3,4,4-Tetrafluoro-9-oxatricyclo[4.2.1.0~2,5~]non-7-ene
CID 3546327
4-Trifluoroethoxy-2-bicyclo[3.1.0]hexene
CID 129694105
5,6-Bis(difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene
CID 135005108
(1S,4R,5R,6R)-5-fluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 10538612
5-Fluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 85177373
2,3,3,4,4,5,5,6-Octafluoro-10-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 23530350
5-(1,1,1,2-Tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 59024486
5-(Trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 59046585
3,3-Difluoro-2-oxabicyclo[2.2.1]hept-5-ene
CID 67217225
1-(Trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 86240490
5,6-Bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 87988876
5-(2-Bromo-1,1,2,2-tetrafluoroethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 89883854

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).