methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate

C13H11FO3 — CID 168528080

IUPACmethyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate
SMILESCOC(=O)c1c(F)ccc(-c2ccco2)c1C
InChIInChI=1S/C13H11FO3/c1-8-9(11-4-3-7-17-11)5-6-10(14)12(8)13(15)16-2/h3-7H,1-2H3
InChIKeyOPJVOAHBICOETD-UHFFFAOYSA-N
MW234.23 g/mol
LogP3.18
Rot. Bonds2

About methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate

methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate (PubChem CID 168528080) has the molecular formula C13H11FO3 and a molecular weight of 234.23 g/mol. Its IUPAC name is methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate
PubChem CID168528080
Molecular FormulaC13H11FO3
Molecular Weight234.23 g/mol
Exact Mass234.07
IUPAC Namemethyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate
SMILESCOC(=O)c1c(F)ccc(-c2ccco2)c1C
InChIInChI=1S/C13H11FO3/c1-8-9(11-4-3-7-17-11)5-6-10(14)12(8)13(15)16-2/h3-7H,1-2H3
InChIKeyOPJVOAHBICOETD-UHFFFAOYSA-N
XLogP3.18
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-fluoro-6-(furan-2-yl)-3-nitrobenzoate
CID 168526633
methyl 2-(furan-2-yl)-5-methylbenzoate
CID 168524395
methyl 2-chloro-6-(furan-2-yl)benzoate
CID 168524975
methyl 4-ethyl-6-(furan-2-yl)-2-hydroxy-3-methylbenzoate
CID 102392505
methyl 6-fluoro-3-hydroxy-2-methylbenzoate
CID 131370787
dimethyl 4-chloro-3-(furan-2-yl)-6-hydroxy-5-methylbenzene-1,2-dicarboxylate
CID 134839682
dimethyl 3-[8-(furan-2-yl)naphthalen-1-yl]-6-hydroxybenzene-1,2-dicarboxylate
CID 73293692
methyl 2,6-difluoro-3-methylbenzoate
CID 55255639
methyl 4-chloro-5-(furan-2-yl)-2-methyl-1-propan-2-ylpyrrole-3-carboxylate
CID 91672482
dimethyl 4-(furan-2-yl)-2-hydroxy-6-(methoxymethyl)benzene-1,3-dicarboxylate
CID 10758019
methyl 2,3-dibromo-6-fluorobenzoate
CID 121228061
methyl 4-chloro-2-(furan-2-yl)pyridine-3-carboxylate
CID 102416721

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate?
The IUPAC name of methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate (CID 168528080) is methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate.
What is the SMILES notation for methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate?
The canonical SMILES for methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate is COC(=O)c1c(F)ccc(-c2ccco2)c1C.
What is the InChIKey of methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate?
The InChIKey is OPJVOAHBICOETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3/c1-8-9(11-4-3-7-17-11)5-6-10(14)12(8)13(15)16-2/h3-7H,1-2H3.
What are the key properties of methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate?
methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate has a molecular weight of 234.23 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-3-(furan-2-yl)-2-methylbenzoate is sourced from PubChem (CID 168528080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).