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

C10H7ClF3NO2 — CID 21475339

IUPAC5-chloro-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
SMILESO=C1C(Cl)OCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H7ClF3NO2/c11-8-9(16)15(5-17-8)7-3-1-2-6(4-7)10(12,13)14/h1-4,8H,5H2
InChIKeyOBKKRJYUYWOCSR-UHFFFAOYSA-N
MW265.62 g/mol
LogP2.59
Rot. Bonds1

About 5-chloro-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one

5-chloro-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one (PubChem CID 21475339) has the molecular formula C10H7ClF3NO2 and a molecular weight of 265.62 g/mol. Its IUPAC name is 5-chloro-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name5-chloro-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
PubChem CID21475339
Molecular FormulaC10H7ClF3NO2
Molecular Weight265.62 g/mol
Exact Mass265.01
IUPAC Name5-chloro-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one
SMILESO=C1C(Cl)OCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H7ClF3NO2/c11-8-9(16)15(5-17-8)7-3-1-2-6(4-7)10(12,13)14/h1-4,8H,5H2
InChIKeyOBKKRJYUYWOCSR-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
The IUPAC name of 5-chloro-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one (CID 21475339) is 5-chloro-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one.
What is the SMILES notation for 5-chloro-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
The canonical SMILES for 5-chloro-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one is O=C1C(Cl)OCN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-chloro-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
The InChIKey is OBKKRJYUYWOCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3NO2/c11-8-9(16)15(5-17-8)7-3-1-2-6(4-7)10(12,13)14/h1-4,8H,5H2.
What are the key properties of 5-chloro-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one?
5-chloro-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one has a molecular weight of 265.62 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-one is sourced from PubChem (CID 21475339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).