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

C10H6F3NO2 — CID 95656303

IUPAC3-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2ccccc2C(F)(F)F)[nH]o1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-4-2-1-3-6(7)8-5-9(15)16-14-8/h1-5,14H
InChIKeyIIPBTMMBCNLBBK-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.65
Rot. Bonds1

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

3-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one (PubChem CID 95656303) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one
PubChem CID95656303
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name3-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2ccccc2C(F)(F)F)[nH]o1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-4-2-1-3-6(7)8-5-9(15)16-14-8/h1-5,14H
InChIKeyIIPBTMMBCNLBBK-UHFFFAOYSA-N
XLogP2.65
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one (CID 95656303) is 3-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one is O=c1cc(-c2ccccc2C(F)(F)F)[nH]o1.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one?
The InChIKey is IIPBTMMBCNLBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)7-4-2-1-3-6(7)8-5-9(15)16-14-8/h1-5,14H.
What are the key properties of 3-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one?
3-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one has a molecular weight of 229.16 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]-2H-1,2-oxazol-5-one is sourced from PubChem (CID 95656303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).