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

C10H8F3NO2 — CID 18980588

IUPAC3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-2-4-8(7)14-5-6-16-9(14)15/h1-4H,5-6H2
InChIKeyJNBVUJVGEKYAQQ-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.66
Rot. Bonds1

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

3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 18980588) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID18980588
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-2-4-8(7)14-5-6-16-9(14)15/h1-4H,5-6H2
InChIKeyJNBVUJVGEKYAQQ-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Phenyl-2-oxazolidinone
CID 136547
5-Hexyl-3-m-tolyloxazolidin-2-one
CID 44155420
2-Oxazolidinone, 5-hydroxymethyl-3-(m-trifluoromethylphenyl)-
CID 207130
Methyl 2,3-dihydro-1H-indole-1-carboxylate
CID 690083
4-(2-Oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 901132
tert-Butyl indoline-1-carboxylate
CID 3663954
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 155547201
5-Hexyl-3-p-tolyloxazolidin-2-one
CID 44155534
2,2,2-Trifluoro-1-indolinylethan-1-one
CID 4405542
US10030020, Example 156
CID 132114509
US10030020, Example 67
CID 132114716
US10030020, Example 133
CID 132114751

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 18980588) is 3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is JNBVUJVGEKYAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)7-3-1-2-4-8(7)14-5-6-16-9(14)15/h1-4H,5-6H2.
What are the key properties of 3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 231.17 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 18980588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).