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

C4H4F3NO2 — CID 154179037

IUPAC2-(trifluoromethyl)-1,3-oxazolidin-4-one
SMILESO=C1COC(C(F)(F)F)N1
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)3-8-2(9)1-10-3/h3H,1H2,(H,8,9)
InChIKeyFPENDWFHQZTRKI-UHFFFAOYSA-N
MW155.07 g/mol
LogP0.02
Rot. Bonds

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

2-(trifluoromethyl)-1,3-oxazolidin-4-one (PubChem CID 154179037) has the molecular formula C4H4F3NO2 and a molecular weight of 155.07 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-oxazolidin-4-one
PubChem CID154179037
Molecular FormulaC4H4F3NO2
Molecular Weight155.07 g/mol
Exact Mass155.02
IUPAC Name2-(trifluoromethyl)-1,3-oxazolidin-4-one
SMILESO=C1COC(C(F)(F)F)N1
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)3-8-2(9)1-10-3/h3H,1H2,(H,8,9)
InChIKeyFPENDWFHQZTRKI-UHFFFAOYSA-N
XLogP0.02
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 ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(trichloromethyl)-1,3-oxazolidin-4-one
CID 95562008
5,5-dimethyl-6-(trifluoromethyl)morpholin-3-one
CID 134163295
4-oxo-1,3-oxazolidine-2-carbaldehyde
CID 54534694
2-[4-amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
CID 57162984
(5R)-5-(trifluoromethyl)pyrrolidin-2-one
CID 66570764
4a,5,6,7,8,8a-hexahydro-4H-pyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen
CID 157231953
6-(trifluoromethyl)piperidin-2-one
CID 57367082
(4aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 121288212
6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]oxazin-3-one
CID 135212645
(4aR,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazine-6-carbaldehyde
CID 156649005
7,8-dihydroxy-1,4a,6,7,8,8a-hexahydropyrano[2,3-b][1,4]oxazin-2-one
CID 175827998
(4aR,8aS)-6-[3-[4-(trifluoromethyl)phenyl]azetidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 155757167

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-oxazolidin-4-one?
The IUPAC name of 2-(trifluoromethyl)-1,3-oxazolidin-4-one (CID 154179037) is 2-(trifluoromethyl)-1,3-oxazolidin-4-one.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-oxazolidin-4-one?
The canonical SMILES for 2-(trifluoromethyl)-1,3-oxazolidin-4-one is O=C1COC(C(F)(F)F)N1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-oxazolidin-4-one?
The InChIKey is FPENDWFHQZTRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO2/c5-4(6,7)3-8-2(9)1-10-3/h3H,1H2,(H,8,9).
What are the key properties of 2-(trifluoromethyl)-1,3-oxazolidin-4-one?
2-(trifluoromethyl)-1,3-oxazolidin-4-one has a molecular weight of 155.07 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-oxazolidin-4-one is sourced from PubChem (CID 154179037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).