6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one

C11H7BrFNO2 — CID 118617899

IUPAC6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one
SMILESO=c1oc(C2CC2)nc2ccc(Br)c(F)c12
InChIInChI=1S/C11H7BrFNO2/c12-6-3-4-7-8(9(6)13)11(15)16-10(14-7)5-1-2-5/h3-5H,1-2H2
InChIKeyABAPYXKPQLJFKV-UHFFFAOYSA-N
MW284.08 g/mol
LogP2.97
Rot. Bonds1

About 6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one

6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one (PubChem CID 118617899) has the molecular formula C11H7BrFNO2 and a molecular weight of 284.08 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one
PubChem CID118617899
Molecular FormulaC11H7BrFNO2
Molecular Weight284.08 g/mol
Exact Mass282.96
IUPAC Name6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one
SMILESO=c1oc(C2CC2)nc2ccc(Br)c(F)c12
InChIInChI=1S/C11H7BrFNO2/c12-6-3-4-7-8(9(6)13)11(15)16-10(14-7)5-1-2-5/h3-5H,1-2H2
InChIKeyABAPYXKPQLJFKV-UHFFFAOYSA-N
XLogP2.97
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one 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 6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one?
The IUPAC name of 6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one (CID 118617899) is 6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one?
The canonical SMILES for 6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one is O=c1oc(C2CC2)nc2ccc(Br)c(F)c12.
What is the InChIKey of 6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one?
The InChIKey is ABAPYXKPQLJFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO2/c12-6-3-4-7-8(9(6)13)11(15)16-10(14-7)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one?
6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one has a molecular weight of 284.08 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one is sourced from PubChem (CID 118617899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).