ethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate

C11H8FNO4 — CID 11276429

IUPACethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate
SMILESCCOC(=O)c1nc(=O)oc2ccc(F)cc12
InChIInChI=1S/C11H8FNO4/c1-2-16-10(14)9-7-5-6(12)3-4-8(7)17-11(15)13-9/h3-5H,2H2,1H3
InChIKeyGLPLDOPJUROIGS-UHFFFAOYSA-N
MW237.19 g/mol
LogP1.50
Rot. Bonds2

About ethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate

ethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate (PubChem CID 11276429) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is ethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate
PubChem CID11276429
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Nameethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate
SMILESCCOC(=O)c1nc(=O)oc2ccc(F)cc12
InChIInChI=1S/C11H8FNO4/c1-2-16-10(14)9-7-5-6(12)3-4-8(7)17-11(15)13-9/h3-5H,2H2,1H3
InChIKeyGLPLDOPJUROIGS-UHFFFAOYSA-N
XLogP1.50
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate 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

ethyl (2Z)-2-(2-acetyloxy-4-fluorophenyl)-2-methoxyiminoacetate
CID 56601406
Ethyl 7-fluoro-2,2-dioxo-1,2lambda6,3-benzoxathiazine-4-carboxylate
CID 176435069
ethyl (2Z)-2-hydroxyimino-2-(4-methoxyphenyl)acetate
CID 11770071
Methyl 2-diazo-2-(2-phenylmethoxyphenyl)acetate
CID 57864540
Methyl 2-diazo-2-(2-methoxyphenyl)acetate
CID 73176574
Methyl 2-diazo-2-(2-ethoxyphenyl)acetate
CID 101119436
methyl (2E)-2-methoxyimino-2-[2-[3-(trifluoromethyl)phenoxy]phenyl]acetate
CID 21627406
methyl (2Z)-2-(2-fluoro-6-phenoxyphenyl)-2-methoxyiminoacetate
CID 12090347
methyl (2E)-2-(fluoromethoxyimino)-2-[2-(oxan-2-yloxy)phenyl]acetate
CID 18009102
4-Tert-butyl-8-fluoro-1,3-benzoxazin-2-one
CID 20750385
4-Tert-butyl-7-fluoro-1,3-benzoxazin-2-one
CID 22973035
methyl (2E)-2-(4-fluoro-2-phenoxyphenyl)-2-methoxyiminoacetate
CID 60012697

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate?
The IUPAC name of ethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate (CID 11276429) is ethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate?
The canonical SMILES for ethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate is CCOC(=O)c1nc(=O)oc2ccc(F)cc12.
What is the InChIKey of ethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate?
The InChIKey is GLPLDOPJUROIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c1-2-16-10(14)9-7-5-6(12)3-4-8(7)17-11(15)13-9/h3-5H,2H2,1H3.
What are the key properties of ethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate?
ethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate has a molecular weight of 237.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-2-oxo-1,3-benzoxazine-4-carboxylate is sourced from PubChem (CID 11276429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).