5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one

C7H11F2NO2 — CID 67256965

IUPAC5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one
SMILESCCN1CC(CC(F)F)OC1=O
InChIInChI=1S/C7H11F2NO2/c1-2-10-4-5(3-6(8)9)12-7(10)11/h5-6H,2-4H2,1H3
InChIKeyPKDVSCHYIKFRCG-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.48
Rot. Bonds3

About 5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one

5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one (PubChem CID 67256965) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one
PubChem CID67256965
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one
SMILESCCN1CC(CC(F)F)OC1=O
InChIInChI=1S/C7H11F2NO2/c1-2-10-4-5(3-6(8)9)12-7(10)11/h5-6H,2-4H2,1H3
InChIKeyPKDVSCHYIKFRCG-UHFFFAOYSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Butyl-1,3-oxazolidin-2-one
CID 567723
2-Oxazolidinone, 3-(1-ethoxyethyl)-5-methyl-
CID 14474965
3,5-Dimethyl-1,3-oxazolidin-2-one
CID 13432443
3-Butyl-5-methyl-1,3-oxazolidin-2-one
CID 13432449
5-Methyl-3-propyl-1,3-oxazolidin-2-one
CID 13547987
3-(2-Hydroxyethyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 21801026
3-Fluoro-4-methoxypyrrolidine-1-carboxylic acid
CID 22603705
Propan-2-yl 3,3-difluoropyrrolidine-1-carboxylate
CID 57562708
1-Pyrrolidinecarboxylic acid 2,2,2-trifluoroethyl ester
CID 65168311
(3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid
CID 66803153
tert-butyl (3S)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylate
CID 66803241
5-(Difluoromethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67253616

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one (CID 67256965) is 5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one is CCN1CC(CC(F)F)OC1=O.
What is the InChIKey of 5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one?
The InChIKey is PKDVSCHYIKFRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-2-10-4-5(3-6(8)9)12-7(10)11/h5-6H,2-4H2,1H3.
What are the key properties of 5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one?
5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one has a molecular weight of 179.17 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67256965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).