2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride

C10H7ClFNO3 — CID 21277886

IUPAC2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
SMILESO=C(Cl)CN1C(=O)COc2cc(F)ccc21
InChIInChI=1S/C10H7ClFNO3/c11-9(14)4-13-7-2-1-6(12)3-8(7)16-5-10(13)15/h1-3H,4-5H2
InChIKeyAZIGVBSMFSIUOH-UHFFFAOYSA-N
MW243.62 g/mol
LogP1.32
Rot. Bonds2

About 2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride

2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride (PubChem CID 21277886) has the molecular formula C10H7ClFNO3 and a molecular weight of 243.62 g/mol. Its IUPAC name is 2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride.

Molecular Properties

Compound Name2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
PubChem CID21277886
Molecular FormulaC10H7ClFNO3
Molecular Weight243.62 g/mol
Exact Mass243.01
IUPAC Name2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
SMILESO=C(Cl)CN1C(=O)COc2cc(F)ccc21
InChIInChI=1S/C10H7ClFNO3/c11-9(14)4-13-7-2-1-6(12)3-8(7)16-5-10(13)15/h1-3H,4-5H2
InChIKeyAZIGVBSMFSIUOH-UHFFFAOYSA-N
XLogP1.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride 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 2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride?
The IUPAC name of 2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride (CID 21277886) is 2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride.
What is the SMILES notation for 2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride?
The canonical SMILES for 2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride is O=C(Cl)CN1C(=O)COc2cc(F)ccc21.
What is the InChIKey of 2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride?
The InChIKey is AZIGVBSMFSIUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO3/c11-9(14)4-13-7-2-1-6(12)3-8(7)16-5-10(13)15/h1-3H,4-5H2.
What are the key properties of 2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride?
2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride has a molecular weight of 243.62 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride is sourced from PubChem (CID 21277886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).