3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one

C10H8F3NO2 — CID 140977129

IUPAC3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
SMILESO=C1COCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)7-2-1-3-8(4-7)14-6-16-5-9(14)15/h1-4H,5-6H2
InChIKeyLFUQWEINIPXGNT-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.03
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one

3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one (PubChem CID 140977129) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
PubChem CID140977129
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
SMILESO=C1COCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)7-2-1-3-8(4-7)14-6-16-5-9(14)15/h1-4H,5-6H2
InChIKeyLFUQWEINIPXGNT-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one (CID 140977129) is 3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one is O=C1COCN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
The InChIKey is LFUQWEINIPXGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)7-2-1-3-8(4-7)14-6-16-5-9(14)15/h1-4H,5-6H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one has a molecular weight of 231.17 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 140977129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).