3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid

C11H12F2O3 — CID 94768590

IUPAC3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid
SMILESO=C(O)CCOCCc1cc(F)ccc1F
InChIInChI=1S/C11H12F2O3/c12-9-1-2-10(13)8(7-9)3-5-16-6-4-11(14)15/h1-2,7H,3-6H2,(H,14,15)
InChIKeyUPDVYVRCZUDYLI-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.00
Rot. Bonds6

About 3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid

3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid (PubChem CID 94768590) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid
PubChem CID94768590
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid
SMILESO=C(O)CCOCCc1cc(F)ccc1F
InChIInChI=1S/C11H12F2O3/c12-9-1-2-10(13)8(7-9)3-5-16-6-4-11(14)15/h1-2,7H,3-6H2,(H,14,15)
InChIKeyUPDVYVRCZUDYLI-UHFFFAOYSA-N
XLogP2.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(3-fluorophenyl)ethoxy]propanoic acid
CID 59296248
3-[2-[(2,4-difluorobenzoyl)amino]ethoxy]propanoic acid
CID 112739168
5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid
CID 119234208
3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid
CID 91883856
4-(2,5-difluorophenyl)-1-methoxybutan-2-one
CID 62320357
2-[3-(2,5-difluorophenyl)propanoyl-methylamino]acetic acid
CID 119171811
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid
CID 24769571
3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
3-(2-amino-5-fluorophenyl)propanoic acid
CID 84658918
3-(2,5-difluorophenyl)-2,2-difluoropropanoic acid
CID 116838238
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid?
The IUPAC name of 3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid (CID 94768590) is 3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid?
The canonical SMILES for 3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid is O=C(O)CCOCCc1cc(F)ccc1F.
What is the InChIKey of 3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid?
The InChIKey is UPDVYVRCZUDYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c12-9-1-2-10(13)8(7-9)3-5-16-6-4-11(14)15/h1-2,7H,3-6H2,(H,14,15).
What are the key properties of 3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid?
3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid has a molecular weight of 230.21 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid is sourced from PubChem (CID 94768590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).