4-(trifluoromethyl)-1,3-oxazolidin-2-one

C4H4F3NO2 — CID 21478216

IUPAC4-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(C(F)(F)F)CO1
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)2-1-10-3(9)8-2/h2H,1H2,(H,8,9)
InChIKeyAOOOOLXZRHYHCP-UHFFFAOYSA-N
MW155.07 g/mol
LogP0.66
Rot. Bonds

About 4-(trifluoromethyl)-1,3-oxazolidin-2-one

4-(trifluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 21478216) has the molecular formula C4H4F3NO2 and a molecular weight of 155.07 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,3-oxazolidin-2-one
PubChem CID21478216
Molecular FormulaC4H4F3NO2
Molecular Weight155.07 g/mol
Exact Mass155.02
IUPAC Name4-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(C(F)(F)F)CO1
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)2-1-10-3(9)8-2/h2H,1H2,(H,8,9)
InChIKeyAOOOOLXZRHYHCP-UHFFFAOYSA-N
XLogP0.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-1,3-oxazolidin-2-one
CID 9855455
(S)-4-Methyloxazolidin-2-one
CID 8063308
4-(Fluoromethyl)-1,3-oxazolidin-2-one
CID 57488730
5-(Difluoromethyl)-1,3-oxazolidin-2-one
CID 67519293
(4S)-4-(Difluoromethyl)-1,3-oxazolidin-2-one
CID 124173646
(R)-4-Methyloxazolidin-2-one
CID 2734858
(S)-4-(iodomethyl)oxazolidin-2-one
CID 14840496
4-(Iodomethyl)oxazolidin-2-one
CID 14840495
2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate
CID 50989295
5-(Trifluoromethyl)oxazolidin-2-one
CID 13649648
5-(Fluoromethyl)-1,3-oxazolidin-2-one
CID 21919473
5-Fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one
CID 67254483

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(trifluoromethyl)-1,3-oxazolidin-2-one (CID 21478216) is 4-(trifluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(trifluoromethyl)-1,3-oxazolidin-2-one is O=C1NC(C(F)(F)F)CO1.
What is the InChIKey of 4-(trifluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is AOOOOLXZRHYHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO2/c5-4(6,7)2-1-10-3(9)8-2/h2H,1H2,(H,8,9).
What are the key properties of 4-(trifluoromethyl)-1,3-oxazolidin-2-one?
4-(trifluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 155.07 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 21478216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).