4-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one

C7H11F2NO2 — CID 67255602

IUPAC4-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1CC(F)F
InChIInChI=1S/C7H11F2NO2/c1-2-10-5(3-6(8)9)4-12-7(10)11/h5-6H,2-4H2,1H3
InChIKeyMNEWLIUNISSELH-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.48
Rot. Bonds3

About 4-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one

4-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one (PubChem CID 67255602) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one
PubChem CID67255602
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name4-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1CC(F)F
InChIInChI=1S/C7H11F2NO2/c1-2-10-5(3-6(8)9)4-12-7(10)11/h5-6H,2-4H2,1H3
InChIKeyMNEWLIUNISSELH-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

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Related Compounds

3-Tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one
CID 163649181
3-Isopropyl-1,3-oxazolidin-2-one
CID 237194
3-Tert-butyl-5-fluoro-1,3-oxazolidin-2-one
CID 59667884
5-(Difluoromethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67253616
3-Ethyl-4-(fluoromethyl)-1,3-oxazolidin-2-one
CID 67253762
3-Ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one
CID 67254228
4-(Difluoromethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67254993
4-(Fluoromethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67255510
3-Ethyl-5-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one
CID 67255571
3-Ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one
CID 67255666
3-Ethyl-5-(fluoromethyl)-1,3-oxazolidin-2-one
CID 67255683
5-(2,2-Difluoroethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67255810

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one (CID 67255602) is 4-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one is CCN1C(=O)OCC1CC(F)F.
What is the InChIKey of 4-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one?
The InChIKey is MNEWLIUNISSELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-2-10-5(3-6(8)9)4-12-7(10)11/h5-6H,2-4H2,1H3.
What are the key properties of 4-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one?
4-(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 4-(2,2-difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67255602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).