6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one

C14H7BrFNO2 — CID 132786054

IUPAC6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2F)nc2ccc(Br)cc12
InChIInChI=1S/C14H7BrFNO2/c15-8-5-6-12-10(7-8)14(18)19-13(17-12)9-3-1-2-4-11(9)16/h1-7H
InChIKeyXAXIVDTZVLGJIE-UHFFFAOYSA-N
MW320.12 g/mol
LogP3.76
Rot. Bonds1

About 6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one

6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one (PubChem CID 132786054) has the molecular formula C14H7BrFNO2 and a molecular weight of 320.12 g/mol. Its IUPAC name is 6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one
PubChem CID132786054
Molecular FormulaC14H7BrFNO2
Molecular Weight320.12 g/mol
Exact Mass318.96
IUPAC Name6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2F)nc2ccc(Br)cc12
InChIInChI=1S/C14H7BrFNO2/c15-8-5-6-12-10(7-8)14(18)19-13(17-12)9-3-1-2-4-11(9)16/h1-7H
InChIKeyXAXIVDTZVLGJIE-UHFFFAOYSA-N
XLogP3.76
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.12
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one (CID 132786054) is 6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one is O=c1oc(-c2ccccc2F)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one?
The InChIKey is XAXIVDTZVLGJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrFNO2/c15-8-5-6-12-10(7-8)14(18)19-13(17-12)9-3-1-2-4-11(9)16/h1-7H.
What are the key properties of 6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one?
6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one has a molecular weight of 320.12 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 132786054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).