2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one

C10H8F3NO2 — CID 19845331

IUPAC2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one
SMILESO=C1CNC(c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-2-6(4-7)9-14-5-8(15)16-9/h1-4,9,14H,5H2
InChIKeyHBDIUISXLJUEKW-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.85
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one

2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one (PubChem CID 19845331) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one
PubChem CID19845331
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one
SMILESO=C1CNC(c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-2-6(4-7)9-14-5-8(15)16-9/h1-4,9,14H,5H2
InChIKeyHBDIUISXLJUEKW-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oxazolidine, 2-phenyl-
CID 347092
Acetic acid, 2-(beta-methoxy-m-trifluoromethylphenethylamino)-
CID 43671
Methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate
CID 169422824
Ethyl 2-phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole-4-carboxylate
CID 134859164
Fluorophenyloxazolidine
CID 153639051
2-Phenyloxazolidin-5-one
CID 11252178
Benzyl benzylglycinate
CID 13893872
3-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]-2-phenyl-4,4-bis(trifluoromethyl)-1,3-oxazolidin-5-one
CID 12736414
2-(m-Trifluoromethylphenyl)-5-ethyl-1,3-oxazolidine
CID 21242493
5-Amino-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 21475338
methyl 2-[[(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]amino]acetate
CID 22859113
benzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate
CID 54184286

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one (CID 19845331) is 2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one is O=C1CNC(c2cccc(C(F)(F)F)c2)O1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one?
The InChIKey is HBDIUISXLJUEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-2-6(4-7)9-14-5-8(15)16-9/h1-4,9,14H,5H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one?
2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one has a molecular weight of 231.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-one is sourced from PubChem (CID 19845331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).