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

C5H6F3NO2 — CID 119097004

IUPAC3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC(F)(F)F
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)3-9-1-2-11-4(9)10/h1-3H2
InChIKeyVODRSQIDBKZMKI-UHFFFAOYSA-N
MW169.10 g/mol
LogP1.00
Rot. Bonds1

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

3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one (PubChem CID 119097004) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
PubChem CID119097004
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC(F)(F)F
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)3-9-1-2-11-4(9)10/h1-3H2
InChIKeyVODRSQIDBKZMKI-UHFFFAOYSA-N
XLogP1.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxazolidinone, 3-methyl-
CID 29831
3-Ethyl-1,3-oxazolidin-2-one
CID 350825
3-(2,2-Difluoroethenyl)-1,3-oxazolidin-2-one
CID 119096794
3-(3,3,3-Trifluoropropanoyl)-1,3-oxazolidin-2-one
CID 134860304
3-(2-Bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one
CID 135039559
(5S)-5-fluoro-3-methyl-1,3-oxazolidin-2-one
CID 178338345
3-(Trifluoroacetyl)-1,3-oxazolidin-2-one
CID 45080818
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
3,4-Difluoro-1,3-oxazolidin-2-one
CID 53898392
2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate
CID 61068007

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one (CID 119097004) is 3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one is O=C1OCCN1CC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
The InChIKey is VODRSQIDBKZMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO2/c6-5(7,8)3-9-1-2-11-4(9)10/h1-3H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one?
3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one has a molecular weight of 169.10 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 119097004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).