2-(4-fluorophenyl)acetic acid

C8H7FO2 — CID 9837

IUPAC2-(4-fluorophenyl)acetic acid
SMILESO=C(O)Cc1ccc(F)cc1
InChIInChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyMGKPFALCNDRSQD-UHFFFAOYSA-N
MW154.14 g/mol
LogP1.45
Rot. Bonds2

About 2-(4-fluorophenyl)acetic acid

2-(4-fluorophenyl)acetic acid (PubChem CID 9837) has the molecular formula C8H7FO2 and a molecular weight of 154.14 g/mol. Its IUPAC name is 2-(4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)acetic acid
PubChem CID9837
Molecular FormulaC8H7FO2
Molecular Weight154.14 g/mol
Exact Mass154.04
IUPAC Name2-(4-fluorophenyl)acetic acid
SMILESO=C(O)Cc1ccc(F)cc1
InChIInChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyMGKPFALCNDRSQD-UHFFFAOYSA-N
XLogP1.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)acetic acid?
The IUPAC name of 2-(4-fluorophenyl)acetic acid (CID 9837) is 2-(4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(4-fluorophenyl)acetic acid?
The canonical SMILES for 2-(4-fluorophenyl)acetic acid is O=C(O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)acetic acid?
The InChIKey is MGKPFALCNDRSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11).
What are the key properties of 2-(4-fluorophenyl)acetic acid?
2-(4-fluorophenyl)acetic acid has a molecular weight of 154.14 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)acetic acid is sourced from PubChem (CID 9837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).