2-fluoro-2-(3-methoxyphenyl)acetic acid

C9H9FO3 — CID 22048328

IUPAC2-fluoro-2-(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(C(F)C(=O)O)c1
InChIInChI=1S/C9H9FO3/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,8H,1H3,(H,11,12)
InChIKeyHJSYGONMQHOAKJ-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.79
Rot. Bonds3

About 2-fluoro-2-(3-methoxyphenyl)acetic acid

2-fluoro-2-(3-methoxyphenyl)acetic acid (PubChem CID 22048328) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-fluoro-2-(3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-methoxyphenyl)acetic acid
PubChem CID22048328
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name2-fluoro-2-(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(C(F)C(=O)O)c1
InChIInChI=1S/C9H9FO3/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,8H,1H3,(H,11,12)
InChIKeyHJSYGONMQHOAKJ-UHFFFAOYSA-N
XLogP1.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-methoxyphenyl)acetic acid?
The IUPAC name of 2-fluoro-2-(3-methoxyphenyl)acetic acid (CID 22048328) is 2-fluoro-2-(3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-fluoro-2-(3-methoxyphenyl)acetic acid is COc1cccc(C(F)C(=O)O)c1.
What is the InChIKey of 2-fluoro-2-(3-methoxyphenyl)acetic acid?
The InChIKey is HJSYGONMQHOAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,8H,1H3,(H,11,12).
What are the key properties of 2-fluoro-2-(3-methoxyphenyl)acetic acid?
2-fluoro-2-(3-methoxyphenyl)acetic acid has a molecular weight of 184.17 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-methoxyphenyl)acetic acid is sourced from PubChem (CID 22048328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).