4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one

C16H9BrFNO2 — CID 1388525

IUPAC4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one
SMILESO=c1cc(-c2cccc(Br)c2)nc(-c2ccccc2F)o1
InChIInChI=1S/C16H9BrFNO2/c17-11-5-3-4-10(8-11)14-9-15(20)21-16(19-14)12-6-1-2-7-13(12)18/h1-9H
InChIKeyRHKVYYBHOFBVJM-UHFFFAOYSA-N
MW346.16 g/mol
LogP4.27
Rot. Bonds2

About 4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one

4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one (PubChem CID 1388525) has the molecular formula C16H9BrFNO2 and a molecular weight of 346.16 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one
PubChem CID1388525
Molecular FormulaC16H9BrFNO2
Molecular Weight346.16 g/mol
Exact Mass344.98
IUPAC Name4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one
SMILESO=c1cc(-c2cccc(Br)c2)nc(-c2ccccc2F)o1
InChIInChI=1S/C16H9BrFNO2/c17-11-5-3-4-10(8-11)14-9-15(20)21-16(19-14)12-6-1-2-7-13(12)18/h1-9H
InChIKeyRHKVYYBHOFBVJM-UHFFFAOYSA-N
XLogP4.27
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.16
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one?
The IUPAC name of 4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one (CID 1388525) is 4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one.
What is the SMILES notation for 4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one?
The canonical SMILES for 4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one is O=c1cc(-c2cccc(Br)c2)nc(-c2ccccc2F)o1.
What is the InChIKey of 4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one?
The InChIKey is RHKVYYBHOFBVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrFNO2/c17-11-5-3-4-10(8-11)14-9-15(20)21-16(19-14)12-6-1-2-7-13(12)18/h1-9H.
What are the key properties of 4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one?
4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one has a molecular weight of 346.16 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(2-fluorophenyl)-1,3-oxazin-6-one is sourced from PubChem (CID 1388525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).