3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one

C5H5F2NO2 — CID 119096794

IUPAC3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C=C(F)F
InChIInChI=1S/C5H5F2NO2/c6-4(7)3-8-1-2-10-5(8)9/h3H,1-2H2
InChIKeyKSLAASGDLWEAHR-UHFFFAOYSA-N
MW149.10 g/mol
LogP1.18
Rot. Bonds1

About 3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one

3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one (PubChem CID 119096794) has the molecular formula C5H5F2NO2 and a molecular weight of 149.10 g/mol. Its IUPAC name is 3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one
PubChem CID119096794
Molecular FormulaC5H5F2NO2
Molecular Weight149.10 g/mol
Exact Mass149.03
IUPAC Name3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C=C(F)F
InChIInChI=1S/C5H5F2NO2/c6-4(7)3-8-1-2-10-5(8)9/h3H,1-2H2
InChIKeyKSLAASGDLWEAHR-UHFFFAOYSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.10
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-vinyl-2-oxazolidinone
CID 77952
3-(2,2,2-Trifluoroethyl)-1,3-oxazolidin-2-one
CID 119097004
3-Propadienyl-1,3-oxazolidin-2-one
CID 45087238
4,4-Difluoro-3-methyl-1,3-oxazolidin-2-one
CID 11506462
4,5-Difluoro-3-methyl-1,3-oxazolidin-2-one
CID 11535571
3-(Trifluoromethyl)-1,3-oxazolidin-2-one
CID 12548143
3-(Difluoromethyl)-1,3-oxazolidin-2-one
CID 67260106
3-(Fluoromethyl)-1,3-oxazolidin-2-one
CID 67519298
3-(2,2-Difluoroethyl)-1,3-oxazolidin-2-one
CID 87327076
3-(1-Fluoroethenyl)-1,3-oxazolidin-2-one
CID 146636667

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one (CID 119096794) is 3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one is O=C1OCCN1C=C(F)F.
What is the InChIKey of 3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one?
The InChIKey is KSLAASGDLWEAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO2/c6-4(7)3-8-1-2-10-5(8)9/h3H,1-2H2.
What are the key properties of 3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one?
3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one has a molecular weight of 149.10 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 119096794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).