2-(2-fluorophenyl)-2-methoxypropanoic acid

C10H11FO3 — CID 61342923

IUPAC2-(2-fluorophenyl)-2-methoxypropanoic acid
SMILESCOC(C)(C(=O)O)c1ccccc1F
InChIInChI=1S/C10H11FO3/c1-10(14-2,9(12)13)7-5-3-4-6-8(7)11/h3-6H,1-2H3,(H,12,13)
InChIKeyLUVSDPOJUUVAES-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.77
Rot. Bonds3

About 2-(2-fluorophenyl)-2-methoxypropanoic acid

2-(2-fluorophenyl)-2-methoxypropanoic acid (PubChem CID 61342923) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-methoxypropanoic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-methoxypropanoic acid
PubChem CID61342923
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-(2-fluorophenyl)-2-methoxypropanoic acid
SMILESCOC(C)(C(=O)O)c1ccccc1F
InChIInChI=1S/C10H11FO3/c1-10(14-2,9(12)13)7-5-3-4-6-8(7)11/h3-6H,1-2H3,(H,12,13)
InChIKeyLUVSDPOJUUVAES-UHFFFAOYSA-N
XLogP1.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-methoxypropanoic acid?
The IUPAC name of 2-(2-fluorophenyl)-2-methoxypropanoic acid (CID 61342923) is 2-(2-fluorophenyl)-2-methoxypropanoic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-2-methoxypropanoic acid?
The canonical SMILES for 2-(2-fluorophenyl)-2-methoxypropanoic acid is COC(C)(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-methoxypropanoic acid?
The InChIKey is LUVSDPOJUUVAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-10(14-2,9(12)13)7-5-3-4-6-8(7)11/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-(2-fluorophenyl)-2-methoxypropanoic acid?
2-(2-fluorophenyl)-2-methoxypropanoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-methoxypropanoic acid is sourced from PubChem (CID 61342923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).