8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one

C10H7F2NO3 — CID 57475445

IUPAC8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one
SMILESCC(=O)c1cccc2c1OC(F)(F)C(=O)N2
InChIInChI=1S/C10H7F2NO3/c1-5(14)6-3-2-4-7-8(6)16-10(11,12)9(15)13-7/h2-4H,1H3,(H,13,15)
InChIKeyVZOJVUVLHJGLEZ-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.81
Rot. Bonds1

About 8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one

8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one (PubChem CID 57475445) has the molecular formula C10H7F2NO3 and a molecular weight of 227.17 g/mol. Its IUPAC name is 8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one
PubChem CID57475445
Molecular FormulaC10H7F2NO3
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one
SMILESCC(=O)c1cccc2c1OC(F)(F)C(=O)N2
InChIInChI=1S/C10H7F2NO3/c1-5(14)6-3-2-4-7-8(6)16-10(11,12)9(15)13-7/h2-4H,1H3,(H,13,15)
InChIKeyVZOJVUVLHJGLEZ-UHFFFAOYSA-N
XLogP1.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one?
The IUPAC name of 8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one (CID 57475445) is 8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one is CC(=O)c1cccc2c1OC(F)(F)C(=O)N2.
What is the InChIKey of 8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one?
The InChIKey is VZOJVUVLHJGLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO3/c1-5(14)6-3-2-4-7-8(6)16-10(11,12)9(15)13-7/h2-4H,1H3,(H,13,15).
What are the key properties of 8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one?
8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one has a molecular weight of 227.17 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2,2-difluoro-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 57475445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).