2-(carboxymethoxy)-5-fluorobenzoic acid

C9H7FO5 — CID 13013035

IUPAC2-(carboxymethoxy)-5-fluorobenzoic acid
SMILESO=C(O)COc1ccc(F)cc1C(=O)O
InChIInChI=1S/C9H7FO5/c10-5-1-2-7(15-4-8(11)12)6(3-5)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKeyVVOKNKUXSAFIDE-UHFFFAOYSA-N
MW214.15 g/mol
LogP0.99
Rot. Bonds4

About 2-(carboxymethoxy)-5-fluorobenzoic acid

2-(carboxymethoxy)-5-fluorobenzoic acid (PubChem CID 13013035) has the molecular formula C9H7FO5 and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-(carboxymethoxy)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(carboxymethoxy)-5-fluorobenzoic acid
PubChem CID13013035
Molecular FormulaC9H7FO5
Molecular Weight214.15 g/mol
Exact Mass214.03
IUPAC Name2-(carboxymethoxy)-5-fluorobenzoic acid
SMILESO=C(O)COc1ccc(F)cc1C(=O)O
InChIInChI=1S/C9H7FO5/c10-5-1-2-7(15-4-8(11)12)6(3-5)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKeyVVOKNKUXSAFIDE-UHFFFAOYSA-N
XLogP0.99
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-prop-2-enoxybenzoic acid
CID 63674181
5-fluoro-2-(5-hydroxypentoxy)benzoic acid
CID 115297887
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-fluorobenzoic acid
CID 113281438
2-[2-[(4-bromophenyl)methyl-fluorocarbamoyl]-4-fluorophenoxy]acetic acid
CID 18468205
5-fluoro-2-nonoxybenzoic acid
CID 115297915
2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid
CID 82843214
2-but-2-ynoxy-5-fluorobenzoic acid
CID 115297884
5-fluoro-2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 115297841
5-fluoro-2-[2-(4-fluorophenyl)sulfanylethoxy]benzoic acid
CID 115297843
2-(4-fluoro-2-sulfamoylphenoxy)acetic acid
CID 62103698
2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
CID 115298074
5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 115298042

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethoxy)-5-fluorobenzoic acid?
The IUPAC name of 2-(carboxymethoxy)-5-fluorobenzoic acid (CID 13013035) is 2-(carboxymethoxy)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(carboxymethoxy)-5-fluorobenzoic acid?
The canonical SMILES for 2-(carboxymethoxy)-5-fluorobenzoic acid is O=C(O)COc1ccc(F)cc1C(=O)O.
What is the InChIKey of 2-(carboxymethoxy)-5-fluorobenzoic acid?
The InChIKey is VVOKNKUXSAFIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO5/c10-5-1-2-7(15-4-8(11)12)6(3-5)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14).
What are the key properties of 2-(carboxymethoxy)-5-fluorobenzoic acid?
2-(carboxymethoxy)-5-fluorobenzoic acid has a molecular weight of 214.15 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethoxy)-5-fluorobenzoic acid is sourced from PubChem (CID 13013035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).