4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one

C9H7ClFNO2 — CID 81157314

IUPAC4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccc(F)c(Cl)c2)CO1
InChIInChI=1S/C9H7ClFNO2/c10-6-3-5(1-2-7(6)11)8-4-14-9(13)12-8/h1-3,8H,4H2,(H,12,13)
InChIKeyRKNTUABFXOTUBI-UHFFFAOYSA-N
MW215.61 g/mol
LogP2.26
Rot. Bonds1

About 4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one

4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 81157314) has the molecular formula C9H7ClFNO2 and a molecular weight of 215.61 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID81157314
Molecular FormulaC9H7ClFNO2
Molecular Weight215.61 g/mol
Exact Mass215.01
IUPAC Name4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccc(F)c(Cl)c2)CO1
InChIInChI=1S/C9H7ClFNO2/c10-6-3-5(1-2-7(6)11)8-4-14-9(13)12-8/h1-3,8H,4H2,(H,12,13)
InChIKeyRKNTUABFXOTUBI-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one (CID 81157314) is 4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one is O=C1NC(c2ccc(F)c(Cl)c2)CO1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is RKNTUABFXOTUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO2/c10-6-3-5(1-2-7(6)11)8-4-14-9(13)12-8/h1-3,8H,4H2,(H,12,13).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one?
4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 215.61 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 81157314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).