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

C15H12FIO2 — CID 79439245

IUPAC2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(I)cc1)c1ccccc1F
InChIInChI=1S/C15H12FIO2/c16-14-4-2-1-3-12(14)13(15(18)19)9-10-5-7-11(17)8-6-10/h1-8,13H,9H2,(H,18,19)
InChIKeyZHFBFZMAOOQFEU-UHFFFAOYSA-N
MW370.16 g/mol
LogP3.84
Rot. Bonds4

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

2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid (PubChem CID 79439245) has the molecular formula C15H12FIO2 and a molecular weight of 370.16 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid
PubChem CID79439245
Molecular FormulaC15H12FIO2
Molecular Weight370.16 g/mol
Exact Mass369.99
IUPAC Name2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(I)cc1)c1ccccc1F
InChIInChI=1S/C15H12FIO2/c16-14-4-2-1-3-12(14)13(15(18)19)9-10-5-7-11(17)8-6-10/h1-8,13H,9H2,(H,18,19)
InChIKeyZHFBFZMAOOQFEU-UHFFFAOYSA-N
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.16
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid
CID 79439713
2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid
CID 114084589
2-(2-fluorophenyl)butanedioic acid
CID 50990542
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228
2-benzyl-3-[(4-iodophenyl)methyl]butanedioic acid
CID 21364662
(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid
CID 117244463
(2S)-2-amino-4-(2-fluorophenyl)pentanedioic acid
CID 172697972
2-(2-fluorophenyl)-5-methylhexanoic acid
CID 79439797
3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid
CID 79439325
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid
CID 103038733
2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid
CID 65477236

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid?
The IUPAC name of 2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid (CID 79439245) is 2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid?
The canonical SMILES for 2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid is O=C(O)C(Cc1ccc(I)cc1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid?
The InChIKey is ZHFBFZMAOOQFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FIO2/c16-14-4-2-1-3-12(14)13(15(18)19)9-10-5-7-11(17)8-6-10/h1-8,13H,9H2,(H,18,19).
What are the key properties of 2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid?
2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid has a molecular weight of 370.16 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid is sourced from PubChem (CID 79439245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).