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

C8H4F4O — CID 135005108

IUPAC5,6-bis(difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)=C1C(=C(F)F)C2C=CC1O2
InChIInChI=1S/C8H4F4O/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h1-4H
InChIKeyATOWLXPNTWGSDR-UHFFFAOYSA-N
MW192.11 g/mol
LogP2.62
Rot. Bonds

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

5,6-bis(difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 135005108) has the molecular formula C8H4F4O and a molecular weight of 192.11 g/mol. Its IUPAC name is 5,6-bis(difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,6-bis(difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID135005108
Molecular FormulaC8H4F4O
Molecular Weight192.11 g/mol
Exact Mass192.02
IUPAC Name5,6-bis(difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)=C1C(=C(F)F)C2C=CC1O2
InChIInChI=1S/C8H4F4O/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h1-4H
InChIKeyATOWLXPNTWGSDR-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 52.62
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

7-Oxabicyclo(2.2.1)hept-2-ene, 5,6-bis(methylene)-
CID 143374
2,3-Bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene
CID 13294463
5,6-Difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 14043961
(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
5,6-Bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 87988876
2-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)-2,5-dihydrofuran
CID 88758199
5,6-Difluoro-5-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 140083719
1-Fluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 141311883
5-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 143087866
5,5,6-Trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 147284288
5,6-Difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 153322569

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,6-bis(difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene (CID 135005108) is 5,6-bis(difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,6-bis(difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,6-bis(difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene is FC(F)=C1C(=C(F)F)C2C=CC1O2.
What is the InChIKey of 5,6-bis(difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is ATOWLXPNTWGSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h1-4H.
What are the key properties of 5,6-bis(difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene?
5,6-bis(difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 192.11 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 135005108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).