4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene

C6H6F2O — CID 67217227

IUPAC4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene
SMILESFC1=CC2CC1(F)CO2
InChIInChI=1S/C6H6F2O/c7-5-1-4-2-6(5,8)3-9-4/h1,4H,2-3H2
InChIKeyRQRVIHLFSSRDAP-UHFFFAOYSA-N
MW132.11 g/mol
LogP1.35
Rot. Bonds

About 4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene

4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene (PubChem CID 67217227) has the molecular formula C6H6F2O and a molecular weight of 132.11 g/mol. Its IUPAC name is 4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene
PubChem CID67217227
Molecular FormulaC6H6F2O
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene
SMILESFC1=CC2CC1(F)CO2
InChIInChI=1S/C6H6F2O/c7-5-1-4-2-6(5,8)3-9-4/h1,4H,2-3H2
InChIKeyRQRVIHLFSSRDAP-UHFFFAOYSA-N
XLogP1.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Oxanorbornene
CID 18522099
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-Difluoro-5-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 140083719
5,6-Difluoro-2-oxabicyclo[2.2.1]hept-5-ene
CID 140599290
5,5,6-Trifluoro-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 147284288
(5E)-5-(fluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene
CID 101990994
5-(Difluoromethylidene)-7-oxabicyclo[2.2.1]hept-2-ene
CID 101990995
5-(Difluoromethylidene)-6-fluoro-7-oxabicyclo[2.2.1]hept-2-ene
CID 101990996
(1S,4R)-1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 102176739
(1R,4S,5R)-5,6,6-trifluoro-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 131852169
(1R,4S,5S)-5,6,6-trifluoro-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 131852170

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene?
The IUPAC name of 4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene (CID 67217227) is 4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for 4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for 4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene is FC1=CC2CC1(F)CO2.
What is the InChIKey of 4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene?
The InChIKey is RQRVIHLFSSRDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O/c7-5-1-4-2-6(5,8)3-9-4/h1,4H,2-3H2.
What are the key properties of 4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene?
4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene has a molecular weight of 132.11 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-oxabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 67217227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).