(5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one

C9H7F2NO2 — CID 95999831

IUPAC(5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC[C@@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C9H7F2NO2/c10-6-2-1-5(3-7(6)11)8-4-12-9(13)14-8/h1-3,8H,4H2,(H,12,13)/t8-/m0/s1
InChIKeyBUDXEJHGYYDYPI-QMMMGPOBSA-N
MW199.16 g/mol
LogP1.75
Rot. Bonds1

About (5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one

(5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 95999831) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is (5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one
PubChem CID95999831
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name(5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC[C@@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C9H7F2NO2/c10-6-2-1-5(3-7(6)11)8-4-12-9(13)14-8/h1-3,8H,4H2,(H,12,13)/t8-/m0/s1
InChIKeyBUDXEJHGYYDYPI-QMMMGPOBSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one (CID 95999831) is (5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one is O=C1NC[C@@H](c2ccc(F)c(F)c2)O1.
What is the InChIKey of (5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is BUDXEJHGYYDYPI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H7F2NO2/c10-6-2-1-5(3-7(6)11)8-4-12-9(13)14-8/h1-3,8H,4H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one?
(5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 199.16 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3,4-difluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 95999831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).