6,7-difluoro-4H-1,4-benzoxazin-3-one

C8H5F2NO2 — CID 46930344

IUPAC6,7-difluoro-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(F)c(F)cc2N1
InChIInChI=1S/C8H5F2NO2/c9-4-1-6-7(2-5(4)10)13-3-8(12)11-6/h1-2H,3H2,(H,11,12)
InChIKeyWFAHKQSSFLPKGA-UHFFFAOYSA-N
MW185.13 g/mol
LogP1.30
Rot. Bonds

About 6,7-difluoro-4H-1,4-benzoxazin-3-one

6,7-difluoro-4H-1,4-benzoxazin-3-one (PubChem CID 46930344) has the molecular formula C8H5F2NO2 and a molecular weight of 185.13 g/mol. Its IUPAC name is 6,7-difluoro-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6,7-difluoro-4H-1,4-benzoxazin-3-one
PubChem CID46930344
Molecular FormulaC8H5F2NO2
Molecular Weight185.13 g/mol
Exact Mass185.03
IUPAC Name6,7-difluoro-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(F)c(F)cc2N1
InChIInChI=1S/C8H5F2NO2/c9-4-1-6-7(2-5(4)10)13-3-8(12)11-6/h1-2H,3H2,(H,11,12)
InChIKeyWFAHKQSSFLPKGA-UHFFFAOYSA-N
XLogP1.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,7-difluoro-4H-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one
CID 22625608
6-ethynyl-7-fluoro-4H-1,4-benzoxazin-3-one
CID 22625617
6-(aminomethyl)-7-fluoro-4H-1,4-benzoxazin-3-one
CID 59298314
6-amino-7-methyl-4H-1,4-benzoxazin-3-one
CID 16765287
6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one
CID 170106851
6-[2-(3-fluoro-4-hydroxyphenyl)ethenyl]-4H-1,4-benzoxazin-3-one
CID 68977937
6-bromo-7-sulfanyl-4H-1,4-benzoxazin-3-one
CID 43152991
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759
7-fluoro-6-[2-oxo-6-(trifluoromethyl)-1H-pyrazin-3-yl]-4H-1,4-benzoxazin-3-one
CID 11088773
2-[(7-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]cyclopentene-1-carboxylic acid
CID 134092384
7-bromo-3-oxo-4H-1,4-benzoxazine-6-sulfonyl fluoride
CID 165459079

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6,7-difluoro-4H-1,4-benzoxazin-3-one (CID 46930344) is 6,7-difluoro-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6,7-difluoro-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6,7-difluoro-4H-1,4-benzoxazin-3-one is O=C1COc2cc(F)c(F)cc2N1.
What is the InChIKey of 6,7-difluoro-4H-1,4-benzoxazin-3-one?
The InChIKey is WFAHKQSSFLPKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO2/c9-4-1-6-7(2-5(4)10)13-3-8(12)11-6/h1-2H,3H2,(H,11,12).
What are the key properties of 6,7-difluoro-4H-1,4-benzoxazin-3-one?
6,7-difluoro-4H-1,4-benzoxazin-3-one has a molecular weight of 185.13 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 46930344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).