methyl 2-fluoro-6-methoxybenzoate

C9H9FO3 — CID 2779314

IUPACmethyl 2-fluoro-6-methoxybenzoate
SMILESCOC(=O)c1c(F)cccc1OC
InChIInChI=1S/C9H9FO3/c1-12-7-5-3-4-6(10)8(7)9(11)13-2/h3-5H,1-2H3
InChIKeyWOKPPDUGASITJX-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.62
Rot. Bonds2

About methyl 2-fluoro-6-methoxybenzoate

methyl 2-fluoro-6-methoxybenzoate (PubChem CID 2779314) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 2-fluoro-6-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-6-methoxybenzoate
PubChem CID2779314
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Namemethyl 2-fluoro-6-methoxybenzoate
SMILESCOC(=O)c1c(F)cccc1OC
InChIInChI=1S/C9H9FO3/c1-12-7-5-3-4-6(10)8(7)9(11)13-2/h3-5H,1-2H3
InChIKeyWOKPPDUGASITJX-UHFFFAOYSA-N
XLogP1.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-methoxybenzoate?
The IUPAC name of methyl 2-fluoro-6-methoxybenzoate (CID 2779314) is methyl 2-fluoro-6-methoxybenzoate.
What is the SMILES notation for methyl 2-fluoro-6-methoxybenzoate?
The canonical SMILES for methyl 2-fluoro-6-methoxybenzoate is COC(=O)c1c(F)cccc1OC.
What is the InChIKey of methyl 2-fluoro-6-methoxybenzoate?
The InChIKey is WOKPPDUGASITJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-12-7-5-3-4-6(10)8(7)9(11)13-2/h3-5H,1-2H3.
What are the key properties of methyl 2-fluoro-6-methoxybenzoate?
methyl 2-fluoro-6-methoxybenzoate has a molecular weight of 184.17 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-methoxybenzoate is sourced from PubChem (CID 2779314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).