methyl 6-fluoro-4-oxochromene-3-carboxylate

C11H7FO4 — CID 170871804

IUPACmethyl 6-fluoro-4-oxochromene-3-carboxylate
SMILESCOC(=O)c1coc2ccc(F)cc2c1=O
InChIInChI=1S/C11H7FO4/c1-15-11(14)8-5-16-9-3-2-6(12)4-7(9)10(8)13/h2-5H,1H3
InChIKeyKWUYOKSEJYEPDB-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.72
Rot. Bonds1

About methyl 6-fluoro-4-oxochromene-3-carboxylate

methyl 6-fluoro-4-oxochromene-3-carboxylate (PubChem CID 170871804) has the molecular formula C11H7FO4 and a molecular weight of 222.17 g/mol. Its IUPAC name is methyl 6-fluoro-4-oxochromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-4-oxochromene-3-carboxylate
PubChem CID170871804
Molecular FormulaC11H7FO4
Molecular Weight222.17 g/mol
Exact Mass222.03
IUPAC Namemethyl 6-fluoro-4-oxochromene-3-carboxylate
SMILESCOC(=O)c1coc2ccc(F)cc2c1=O
InChIInChI=1S/C11H7FO4/c1-15-11(14)8-5-16-9-3-2-6(12)4-7(9)10(8)13/h2-5H,1H3
InChIKeyKWUYOKSEJYEPDB-UHFFFAOYSA-N
XLogP1.72
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3,4,5-tetrafluoro-6-methylphenyl) 7-fluoro-4-oxochromene-3-carboxylate
CID 160867632
methyl 6-fluoro-8-nitro-4-oxochromene-3-carboxylate
CID 165353399
6-fluoro-4-sulfanylidenechromene-3-carboxylic acid
CID 57209148
methyl 6,8-dimethyl-4-oxochromene-3-carboxylate
CID 170871809
N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 110488706
6-methyl-4-oxochromene-3-carbonyl chloride
CID 139222977
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
3-benzoyl-6-methoxychromen-4-one
CID 747889
methyl 4-[(E)-2-(6-fluoro-3-methyl-4-oxochromen-2-yl)ethenyl]benzoate
CID 2120093
methyl 2-[6-fluoro-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4296613
3-(2-aminobutyl)-6-fluorochromen-4-one
CID 170889079
dimethyl 3-hydroxy-4-oxopyran-2,5-dicarboxylate
CID 137347194

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-4-oxochromene-3-carboxylate?
The IUPAC name of methyl 6-fluoro-4-oxochromene-3-carboxylate (CID 170871804) is methyl 6-fluoro-4-oxochromene-3-carboxylate.
What is the SMILES notation for methyl 6-fluoro-4-oxochromene-3-carboxylate?
The canonical SMILES for methyl 6-fluoro-4-oxochromene-3-carboxylate is COC(=O)c1coc2ccc(F)cc2c1=O.
What is the InChIKey of methyl 6-fluoro-4-oxochromene-3-carboxylate?
The InChIKey is KWUYOKSEJYEPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO4/c1-15-11(14)8-5-16-9-3-2-6(12)4-7(9)10(8)13/h2-5H,1H3.
What are the key properties of methyl 6-fluoro-4-oxochromene-3-carboxylate?
methyl 6-fluoro-4-oxochromene-3-carboxylate has a molecular weight of 222.17 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-4-oxochromene-3-carboxylate is sourced from PubChem (CID 170871804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).