(4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid

C10H7F2NO4 — CID 20668509

IUPAC(4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OC[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C10H7F2NO4/c11-6-2-1-5(3-7(6)12)8-4-17-10(16)13(8)9(14)15/h1-3,8H,4H2,(H,14,15)/t8-/m1/s1
InChIKeyYTZZPWUZLNBVTH-MRVPVSSYSA-N
MW243.16 g/mol
LogP2.14
Rot. Bonds1

About (4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid

(4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid (PubChem CID 20668509) has the molecular formula C10H7F2NO4 and a molecular weight of 243.16 g/mol. Its IUPAC name is (4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid
PubChem CID20668509
Molecular FormulaC10H7F2NO4
Molecular Weight243.16 g/mol
Exact Mass243.03
IUPAC Name(4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OC[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C10H7F2NO4/c11-6-2-1-5(3-7(6)12)8-4-17-10(16)13(8)9(14)15/h1-3,8H,4H2,(H,14,15)/t8-/m1/s1
InChIKeyYTZZPWUZLNBVTH-MRVPVSSYSA-N
XLogP2.14
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid (CID 20668509) is (4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid is O=C(O)N1C(=O)OC[C@@H]1c1ccc(F)c(F)c1.
What is the InChIKey of (4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is YTZZPWUZLNBVTH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H7F2NO4/c11-6-2-1-5(3-7(6)12)8-4-17-10(16)13(8)9(14)15/h1-3,8H,4H2,(H,14,15)/t8-/m1/s1.
What are the key properties of (4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid?
(4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 243.16 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 20668509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).