2-(2-cyano-4-fluorophenyl)propanoic acid

C10H8FNO2 — CID 130135521

IUPAC2-(2-cyano-4-fluorophenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(F)cc1C#N
InChIInChI=1S/C10H8FNO2/c1-6(10(13)14)9-3-2-8(11)4-7(9)5-12/h2-4,6H,1H3,(H,13,14)
InChIKeyJUIAORUUSOFZGR-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.89
Rot. Bonds2

About 2-(2-cyano-4-fluorophenyl)propanoic acid

2-(2-cyano-4-fluorophenyl)propanoic acid (PubChem CID 130135521) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-(2-cyano-4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-cyano-4-fluorophenyl)propanoic acid
PubChem CID130135521
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name2-(2-cyano-4-fluorophenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(F)cc1C#N
InChIInChI=1S/C10H8FNO2/c1-6(10(13)14)9-3-2-8(11)4-7(9)5-12/h2-4,6H,1H3,(H,13,14)
InChIKeyJUIAORUUSOFZGR-UHFFFAOYSA-N
XLogP1.89
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-5-fluorobenzonitrile
CID 103845918
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
2-[(1S)-1-amino-2-methylpropyl]-5-fluorobenzonitrile
CID 130703506
2-[(2-cyano-5-fluorophenyl)methylsulfinyl]propanoic acid
CID 107906923
2-(2-cyano-1,2-dihydroxyethyl)-5-fluorobenzonitrile
CID 171870269
3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170824004
3-[(2-cyano-4-fluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55170970
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
2-(2-cyano-4-fluorophenyl)sulfanylbutanoic acid
CID 105355072
2-[(2-cyano-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 82016047
(2S,3R)-2-[(2-cyano-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966489
2-(2-cyano-4-fluoro-N-methylanilino)butanoic acid
CID 63673420

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-4-fluorophenyl)propanoic acid?
The IUPAC name of 2-(2-cyano-4-fluorophenyl)propanoic acid (CID 130135521) is 2-(2-cyano-4-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(2-cyano-4-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(2-cyano-4-fluorophenyl)propanoic acid is CC(C(=O)O)c1ccc(F)cc1C#N.
What is the InChIKey of 2-(2-cyano-4-fluorophenyl)propanoic acid?
The InChIKey is JUIAORUUSOFZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-6(10(13)14)9-3-2-8(11)4-7(9)5-12/h2-4,6H,1H3,(H,13,14).
What are the key properties of 2-(2-cyano-4-fluorophenyl)propanoic acid?
2-(2-cyano-4-fluorophenyl)propanoic acid has a molecular weight of 193.18 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-4-fluorophenyl)propanoic acid is sourced from PubChem (CID 130135521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).