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

C7H12FNO2 — CID 67254228

IUPAC3-ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1CCF
InChIInChI=1S/C7H12FNO2/c1-2-9-6(3-4-8)5-11-7(9)10/h6H,2-5H2,1H3
InChIKeyPKZLGGCFIPNHKM-UHFFFAOYSA-N
MW161.18 g/mol
LogP1.19
Rot. Bonds3

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

3-ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one (PubChem CID 67254228) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 3-ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one
PubChem CID67254228
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name3-ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1CCF
InChIInChI=1S/C7H12FNO2/c1-2-9-6(3-4-8)5-11-7(9)10/h6H,2-5H2,1H3
InChIKeyPKZLGGCFIPNHKM-UHFFFAOYSA-N
XLogP1.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Butyl-1,3-oxazolidin-2-one
CID 567723
US10214537, Example 158
CID 57765494
3-Isopropyl-1,3-oxazolidin-2-one
CID 237194
(4S)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11355536
3-Propyl-1,3-oxazolidin-2-one
CID 12238104
(4R)-3-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 58484579
3-Cyclopropyl-1,3-oxazolidin-2-one
CID 90190673
4,4-Dimethyl-3-propyl-1,3-oxazolidin-2-one
CID 142206479
3-Tert-butyl-5-fluoro-1,3-oxazolidin-2-one
CID 59667884
tert-butyl (4R)-4-(1-fluoro-1-methylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67157475
3-Ethyl-4-(fluoromethyl)-1,3-oxazolidin-2-one
CID 67253762
4-(Difluoromethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67254993

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one (CID 67254228) is 3-ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one is CCN1C(=O)OCC1CCF.
What is the InChIKey of 3-ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one?
The InChIKey is PKZLGGCFIPNHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-2-9-6(3-4-8)5-11-7(9)10/h6H,2-5H2,1H3.
What are the key properties of 3-ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one?
3-ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one has a molecular weight of 161.18 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67254228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).