(4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride

C9H7BrClF2NO2 — CID 171184446

IUPAC(4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2c(F)ccc(Br)c2F)CO1
InChIInChI=1S/C9H6BrF2NO2.ClH/c10-4-1-2-5(11)7(8(4)12)6-3-15-9(14)13-6;/h1-2,6H,3H2,(H,13,14);1H/t6-;/m0./s1
InChIKeyISHLQCPUMYXZOT-RGMNGODLSA-N
MW314.51 g/mol
LogP2.93
Rot. Bonds1

About (4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride

(4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171184446) has the molecular formula C9H7BrClF2NO2 and a molecular weight of 314.51 g/mol. Its IUPAC name is (4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171184446
Molecular FormulaC9H7BrClF2NO2
Molecular Weight314.51 g/mol
Exact Mass312.93
IUPAC Name(4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@H](c2c(F)ccc(Br)c2F)CO1
InChIInChI=1S/C9H6BrF2NO2.ClH/c10-4-1-2-5(11)7(8(4)12)6-3-15-9(14)13-6;/h1-2,6H,3H2,(H,13,14);1H/t6-;/m0./s1
InChIKeyISHLQCPUMYXZOT-RGMNGODLSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171184446) is (4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride is Cl.O=C1N[C@H](c2c(F)ccc(Br)c2F)CO1.
What is the InChIKey of (4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is ISHLQCPUMYXZOT-RGMNGODLSA-N. The full InChI is InChI=1S/C9H6BrF2NO2.ClH/c10-4-1-2-5(11)7(8(4)12)6-3-15-9(14)13-6;/h1-2,6H,3H2,(H,13,14);1H/t6-;/m0./s1.
What are the key properties of (4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 314.51 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171184446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).