3-(2-fluoro-4-iodophenyl)propanoic acid

C9H8FIO2 — CID 91883071

IUPAC3-(2-fluoro-4-iodophenyl)propanoic acid
SMILESO=C(O)CCc1ccc(I)cc1F
InChIInChI=1S/C9H8FIO2/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChIKeyFYOFAXXWDHMIGE-UHFFFAOYSA-N
MW294.06 g/mol
LogP2.45
Rot. Bonds3

About 3-(2-fluoro-4-iodophenyl)propanoic acid

3-(2-fluoro-4-iodophenyl)propanoic acid (PubChem CID 91883071) has the molecular formula C9H8FIO2 and a molecular weight of 294.06 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodophenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-fluoro-4-iodophenyl)propanoic acid
PubChem CID91883071
Molecular FormulaC9H8FIO2
Molecular Weight294.06 g/mol
Exact Mass293.96
IUPAC Name3-(2-fluoro-4-iodophenyl)propanoic acid
SMILESO=C(O)CCc1ccc(I)cc1F
InChIInChI=1S/C9H8FIO2/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChIKeyFYOFAXXWDHMIGE-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.06
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2-fluoro-4-iodophenyl)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-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
3-(2,5-diiodophenyl)propanoic acid
CID 127255765
CID 155601347
CID 155601347
3-(2-fluorophenyl)propanoic acid
CID 2063866
4-(2-fluoro-4-hydroxyphenyl)butanoic acid
CID 83699430
3-[2-(carboxymethyl)-4-fluorophenyl]propanoic acid
CID 91883856
3-(2,4-difluoro-5-hydroxyphenyl)propanoic acid
CID 117290600
3-[2-fluoro-4-(3-sulfanylprop-1-ynyl)phenyl]propanoic acid
CID 169487380
3-[4-[2-(3,5-dichlorophenyl)ethynyl]-2-fluorophenyl]propanoic acid
CID 66562392
3-(3-bromo-2,4-difluorophenyl)propanoic acid
CID 84807517
3-[4-(4-chlorobut-1-enyl)-2-fluorophenyl]propanoic acid
CID 170499953
3-[2-(carboxymethyl)-5-chlorophenyl]propanoic acid
CID 118836350

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodophenyl)propanoic acid?
The IUPAC name of 3-(2-fluoro-4-iodophenyl)propanoic acid (CID 91883071) is 3-(2-fluoro-4-iodophenyl)propanoic acid.
What is the SMILES notation for 3-(2-fluoro-4-iodophenyl)propanoic acid?
The canonical SMILES for 3-(2-fluoro-4-iodophenyl)propanoic acid is O=C(O)CCc1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodophenyl)propanoic acid?
The InChIKey is FYOFAXXWDHMIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FIO2/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13).
What are the key properties of 3-(2-fluoro-4-iodophenyl)propanoic acid?
3-(2-fluoro-4-iodophenyl)propanoic acid has a molecular weight of 294.06 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodophenyl)propanoic acid is sourced from PubChem (CID 91883071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).