6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one

C9H8FNO3 — CID 171429000

IUPAC6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one
SMILESCN1c2ccc(F)cc2C(=O)OC1O
InChIInChI=1S/C9H8FNO3/c1-11-7-3-2-5(10)4-6(7)8(12)14-9(11)13/h2-4,9,13H,1H3
InChIKeyDMUUKKVVCGFUEC-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.71
Rot. Bonds

About 6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one

6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one (PubChem CID 171429000) has the molecular formula C9H8FNO3 and a molecular weight of 197.16 g/mol. Its IUPAC name is 6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one
PubChem CID171429000
Molecular FormulaC9H8FNO3
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one
SMILESCN1c2ccc(F)cc2C(=O)OC1O
InChIInChI=1S/C9H8FNO3/c1-11-7-3-2-5(10)4-6(7)8(12)14-9(11)13/h2-4,9,13H,1H3
InChIKeyDMUUKKVVCGFUEC-UHFFFAOYSA-N
XLogP0.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84621517
(3E)-5-fluoro-1-methyl-3-phenacylideneindol-2-one
CID 71551129
2-(6-fluoro-1-methyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
CID 84629074
6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol
CID 174584995
3-(2,4-difluorophenyl)-1,5-dimethylimidazolidine-2,4-dione
CID 55096890
7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid
CID 84637578
3-(3-fluorophenyl)-5-hydroxy-1-methylimidazolidine-2,4-dione
CID 19846702
1-[(2-hydroxy-3-methyl-2H-1,3-benzoxazol-5-yl)methyl]pyrrole-2,5-dione
CID 144524379
2-(6-fluoro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropanoic acid
CID 82142781
5-fluoro-2-benzofuran-1,3-dione
CID 159746884
4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one
CID 82544293
5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione
CID 115579387

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one?
The IUPAC name of 6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one (CID 171429000) is 6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one?
The canonical SMILES for 6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one is CN1c2ccc(F)cc2C(=O)OC1O.
What is the InChIKey of 6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one?
The InChIKey is DMUUKKVVCGFUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO3/c1-11-7-3-2-5(10)4-6(7)8(12)14-9(11)13/h2-4,9,13H,1H3.
What are the key properties of 6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one?
6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one has a molecular weight of 197.16 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-hydroxy-1-methyl-2H-3,1-benzoxazin-4-one is sourced from PubChem (CID 171429000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).