2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid

C10H9FO4 — CID 163291974

IUPAC2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid
SMILESCOC(=O)Cc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C10H9FO4/c1-15-9(12)5-6-2-3-7(10(13)14)8(11)4-6/h2-4H,5H2,1H3,(H,13,14)
InChIKeyPHEVLFKWRLNQNV-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.24
Rot. Bonds3

About 2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid

2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid (PubChem CID 163291974) has the molecular formula C10H9FO4 and a molecular weight of 212.18 g/mol. Its IUPAC name is 2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid
PubChem CID163291974
Molecular FormulaC10H9FO4
Molecular Weight212.18 g/mol
Exact Mass212.05
IUPAC Name2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid
SMILESCOC(=O)Cc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C10H9FO4/c1-15-9(12)5-6-2-3-7(10(13)14)8(11)4-6/h2-4H,5H2,1H3,(H,13,14)
InChIKeyPHEVLFKWRLNQNV-UHFFFAOYSA-N
XLogP1.24
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-acetyl-3-fluorophenyl)acetate
CID 121231971
[2-fluoro-5-(2-methoxy-2-oxoethyl)phenyl]boronic acid
CID 130058671
[2-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]-trimethylazanium
CID 67592648
methyl 4-(2-methoxy-2-oxoethyl)-2-methylbenzoate
CID 171792318
4-[(ethoxyamino)methyl]-2-fluorobenzoic acid
CID 106700147
4-(aminooxymethyl)-2-fluorobenzoic acid
CID 106698513
2-fluoro-4-(propan-2-yloxymethyl)benzoic acid
CID 106698299
2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 114002321
4-[2-[2-(3,4-dicarboxyphenyl)acetyl]oxy-2-oxoethyl]phthalic acid
CID 162070629
2-[4-fluoro-3-(trifluoromethoxy)phenyl]acetic acid;methyl 2-[4-fluoro-3-(trifluoromethoxy)phenyl]acetate
CID 158311661
methyl 5-(3,4-difluorophenyl)-4-oxopentanoate
CID 63899481
2-fluoro-4-(propoxymethyl)benzoic acid
CID 18913749

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid?
The IUPAC name of 2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid (CID 163291974) is 2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid?
The canonical SMILES for 2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid is COC(=O)Cc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid?
The InChIKey is PHEVLFKWRLNQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO4/c1-15-9(12)5-6-2-3-7(10(13)14)8(11)4-6/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid?
2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid has a molecular weight of 212.18 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid is sourced from PubChem (CID 163291974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).