2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine

C9H9BrFNO — CID 174900477

IUPAC2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine
SMILESFc1cc(C2NCCO2)ccc1Br
InChIInChI=1S/C9H9BrFNO/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9,12H,3-4H2
InChIKeyLXIFTPSGLJXXGX-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.21
Rot. Bonds1

About 2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine

2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine (PubChem CID 174900477) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine
PubChem CID174900477
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine
SMILESFc1cc(C2NCCO2)ccc1Br
InChIInChI=1S/C9H9BrFNO/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9,12H,3-4H2
InChIKeyLXIFTPSGLJXXGX-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine (CID 174900477) is 2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine is Fc1cc(C2NCCO2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine?
The InChIKey is LXIFTPSGLJXXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5,9,12H,3-4H2.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine?
2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine has a molecular weight of 246.08 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-1,3-oxazolidine is sourced from PubChem (CID 174900477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).