(4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one

C12H10F3NO3 — CID 70897512

IUPAC(4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccc(F)c(F)c1)N1C(=O)OC[C@H]1F
InChIInChI=1S/C12H10F3NO3/c13-8-3-1-7(5-9(8)14)2-4-11(17)16-10(15)6-19-12(16)18/h1,3,5,10H,2,4,6H2/t10-/m0/s1
InChIKeyNYQFPMFNWMOYMG-JTQLQIEISA-N
MW273.21 g/mol
LogP2.17
Rot. Bonds3

About (4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one

(4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one (PubChem CID 70897512) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is (4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one
PubChem CID70897512
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name(4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccc(F)c(F)c1)N1C(=O)OC[C@H]1F
InChIInChI=1S/C12H10F3NO3/c13-8-3-1-7(5-9(8)14)2-4-11(17)16-10(15)6-19-12(16)18/h1,3,5,10H,2,4,6H2/t10-/m0/s1
InChIKeyNYQFPMFNWMOYMG-JTQLQIEISA-N
XLogP2.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one (CID 70897512) is (4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one is O=C(CCc1ccc(F)c(F)c1)N1C(=O)OC[C@H]1F.
What is the InChIKey of (4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one?
The InChIKey is NYQFPMFNWMOYMG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H10F3NO3/c13-8-3-1-7(5-9(8)14)2-4-11(17)16-10(15)6-19-12(16)18/h1,3,5,10H,2,4,6H2/t10-/m0/s1.
What are the key properties of (4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one?
(4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one has a molecular weight of 273.21 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[3-(3,4-difluorophenyl)propanoyl]-4-fluoro-1,3-oxazolidin-2-one is sourced from PubChem (CID 70897512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).