2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid

C16H14FIO2 — CID 65477236

IUPAC2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1)Cc1ccc(I)cc1
InChIInChI=1S/C16H14FIO2/c17-14-5-1-11(2-6-14)9-13(16(19)20)10-12-3-7-15(18)8-4-12/h1-8,13H,9-10H2,(H,19,20)
InChIKeyWIESZAHQRVGRAB-UHFFFAOYSA-N
MW384.19 g/mol
LogP3.92
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid

2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid (PubChem CID 65477236) has the molecular formula C16H14FIO2 and a molecular weight of 384.19 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid
PubChem CID65477236
Molecular FormulaC16H14FIO2
Molecular Weight384.19 g/mol
Exact Mass384.00
IUPAC Name2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1)Cc1ccc(I)cc1
InChIInChI=1S/C16H14FIO2/c17-14-5-1-11(2-6-14)9-13(16(19)20)10-12-3-7-15(18)8-4-12/h1-8,13H,9-10H2,(H,19,20)
InChIKeyWIESZAHQRVGRAB-UHFFFAOYSA-N
XLogP3.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 53.92
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

2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid
CID 54270409
2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid
CID 79418299
2-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 114930793
2-[(4-iodophenyl)methyl]-3-(2-methylphenyl)propanoic acid
CID 65477849
4-amino-2-[(4-iodophenyl)methyl]butanoic acid
CID 104680959
1-(4-fluorophenyl)-3-(4-iodophenyl)propan-2-ol
CID 65477274
2-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 60793915
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643
2-[(4-chloro-3-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 107882988
2-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 60793205
2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 61495740
2-[(4-fluorophenyl)methyl]-5-hydroxy-5-methylhexanoic acid
CID 79419187

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid (CID 65477236) is 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid is O=C(O)C(Cc1ccc(F)cc1)Cc1ccc(I)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid?
The InChIKey is WIESZAHQRVGRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FIO2/c17-14-5-1-11(2-6-14)9-13(16(19)20)10-12-3-7-15(18)8-4-12/h1-8,13H,9-10H2,(H,19,20).
What are the key properties of 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid?
2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid has a molecular weight of 384.19 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid is sourced from PubChem (CID 65477236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).