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

C10H8F3NO2 — CID 69403978

IUPAC5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(c2ccccc2)(C(F)(F)F)O1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9(6-14-8(15)16-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)
InChIKeyYAGHBCYRHFCAOU-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.18
Rot. Bonds1

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

5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 69403978) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one
PubChem CID69403978
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(c2ccccc2)(C(F)(F)F)O1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9(6-14-8(15)16-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)
InChIKeyYAGHBCYRHFCAOU-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one (CID 69403978) is 5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one is O=C1NCC(c2ccccc2)(C(F)(F)F)O1.
What is the InChIKey of 5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is YAGHBCYRHFCAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)9(6-14-8(15)16-9)7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15).
What are the key properties of 5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one?
5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 231.17 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69403978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).