3-fluoro-2-(2-methoxyethoxy)benzoic acid

C10H11FO4 — CID 62650952

IUPAC3-fluoro-2-(2-methoxyethoxy)benzoic acid
SMILESCOCCOc1c(F)cccc1C(=O)O
InChIInChI=1S/C10H11FO4/c1-14-5-6-15-9-7(10(12)13)3-2-4-8(9)11/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyGVWSMMINKREISK-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.55
Rot. Bonds5

About 3-fluoro-2-(2-methoxyethoxy)benzoic acid

3-fluoro-2-(2-methoxyethoxy)benzoic acid (PubChem CID 62650952) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 3-fluoro-2-(2-methoxyethoxy)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(2-methoxyethoxy)benzoic acid
PubChem CID62650952
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name3-fluoro-2-(2-methoxyethoxy)benzoic acid
SMILESCOCCOc1c(F)cccc1C(=O)O
InChIInChI=1S/C10H11FO4/c1-14-5-6-15-9-7(10(12)13)3-2-4-8(9)11/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyGVWSMMINKREISK-UHFFFAOYSA-N
XLogP1.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-methoxyethoxy)benzoic acid?
The IUPAC name of 3-fluoro-2-(2-methoxyethoxy)benzoic acid (CID 62650952) is 3-fluoro-2-(2-methoxyethoxy)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(2-methoxyethoxy)benzoic acid?
The canonical SMILES for 3-fluoro-2-(2-methoxyethoxy)benzoic acid is COCCOc1c(F)cccc1C(=O)O.
What is the InChIKey of 3-fluoro-2-(2-methoxyethoxy)benzoic acid?
The InChIKey is GVWSMMINKREISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-14-5-6-15-9-7(10(12)13)3-2-4-8(9)11/h2-4H,5-6H2,1H3,(H,12,13).
What are the key properties of 3-fluoro-2-(2-methoxyethoxy)benzoic acid?
3-fluoro-2-(2-methoxyethoxy)benzoic acid has a molecular weight of 214.19 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-methoxyethoxy)benzoic acid is sourced from PubChem (CID 62650952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).