2-(4-fluorophenoxy)propanoic acid

C9H9FO3 — CID 3872140

IUPAC2-(4-fluorophenoxy)propanoic acid
SMILESCC(Oc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C9H9FO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
InChIKeyWIVLMXDHGGRLMP-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.68
Rot. Bonds3

About 2-(4-fluorophenoxy)propanoic acid

2-(4-fluorophenoxy)propanoic acid (PubChem CID 3872140) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)propanoic acid.

Molecular Properties

Compound Name2-(4-fluorophenoxy)propanoic acid
PubChem CID3872140
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name2-(4-fluorophenoxy)propanoic acid
SMILESCC(Oc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C9H9FO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12)
InChIKeyWIVLMXDHGGRLMP-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid
CID 733394
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
(2R)-2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-3-methylbutanoic acid
CID 92921464
(2S)-2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-3-methylbutanoic acid
CID 92921466
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid
CID 110193293
(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
CID 139082726
(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)propanoic acid?
The IUPAC name of 2-(4-fluorophenoxy)propanoic acid (CID 3872140) is 2-(4-fluorophenoxy)propanoic acid.
What is the SMILES notation for 2-(4-fluorophenoxy)propanoic acid?
The canonical SMILES for 2-(4-fluorophenoxy)propanoic acid is CC(Oc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-(4-fluorophenoxy)propanoic acid?
The InChIKey is WIVLMXDHGGRLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12).
What are the key properties of 2-(4-fluorophenoxy)propanoic acid?
2-(4-fluorophenoxy)propanoic acid has a molecular weight of 184.17 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)propanoic acid is sourced from PubChem (CID 3872140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).