methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate

C11H10FNO4 — CID 26434581

IUPACmethyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCOC(=O)CN1C(=O)COc2ccc(F)cc21
InChIInChI=1S/C11H10FNO4/c1-16-11(15)5-13-8-4-7(12)2-3-9(8)17-6-10(13)14/h2-4H,5-6H2,1H3
InChIKeyAAHIGQLRNSIMNU-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.72
Rot. Bonds2

About methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate

methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate (PubChem CID 26434581) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate
PubChem CID26434581
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Namemethyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCOC(=O)CN1C(=O)COc2ccc(F)cc21
InChIInChI=1S/C11H10FNO4/c1-16-11(15)5-13-8-4-7(12)2-3-9(8)17-6-10(13)14/h2-4H,5-6H2,1H3
InChIKeyAAHIGQLRNSIMNU-UHFFFAOYSA-N
XLogP0.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 3154550
4-ethyl-6-fluoro-1,4-benzoxazin-3-one
CID 59525216
methyl 2-[6-(2,3-dihydroindol-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 20914076
2-methoxyethyl 2-[6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 82338210
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2,4-difluorophenyl)acetamide
CID 31070956
2-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
CID 21277886
6-bromo-4-(3-methoxy-2-oxopropyl)-1,4-benzoxazin-3-one
CID 107507687
methyl 4-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)butanoate
CID 43378369
methyl 3-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 43479529
4-[2-(dimethylamino)-2-oxoethyl]-N-(3-fluorophenyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53085009
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 37360924
methyl 2-[3-oxo-7-(phenylsulfamoyl)-1,4-benzoxazin-4-yl]acetate
CID 126460552

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate?
The IUPAC name of methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate (CID 26434581) is methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate.
What is the SMILES notation for methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate?
The canonical SMILES for methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate is COC(=O)CN1C(=O)COc2ccc(F)cc21.
What is the InChIKey of methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate?
The InChIKey is AAHIGQLRNSIMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c1-16-11(15)5-13-8-4-7(12)2-3-9(8)17-6-10(13)14/h2-4H,5-6H2,1H3.
What are the key properties of methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate?
methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate has a molecular weight of 239.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluoro-3-oxo-1,4-benzoxazin-4-yl)acetate is sourced from PubChem (CID 26434581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).