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

C10H9FN2O2 — CID 43656940

IUPAC2-(4-cyano-2-fluoroanilino)propanoic acid
SMILESCC(Nc1ccc(C#N)cc1F)C(=O)O
InChIInChI=1S/C10H9FN2O2/c1-6(10(14)15)13-9-3-2-7(5-12)4-8(9)11/h2-4,6,13H,1H3,(H,14,15)
InChIKeyIDDCCLAKPRQHPU-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.58
Rot. Bonds3

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

2-(4-cyano-2-fluoroanilino)propanoic acid (PubChem CID 43656940) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(4-cyano-2-fluoroanilino)propanoic acid.

Molecular Properties

Compound Name2-(4-cyano-2-fluoroanilino)propanoic acid
PubChem CID43656940
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name2-(4-cyano-2-fluoroanilino)propanoic acid
SMILESCC(Nc1ccc(C#N)cc1F)C(=O)O
InChIInChI=1S/C10H9FN2O2/c1-6(10(14)15)13-9-3-2-7(5-12)4-8(9)11/h2-4,6,13H,1H3,(H,14,15)
InChIKeyIDDCCLAKPRQHPU-UHFFFAOYSA-N
XLogP1.58
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-2-fluoroanilino)propanamide
CID 43657192
3-fluoro-4-(propan-2-ylamino)benzonitrile
CID 43656980
3-(4-cyano-2-fluoroanilino)butanamide
CID 115685019
2-(4-cyano-2-fluoroanilino)-4-methoxybutanoic acid
CID 62478283
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
3-fluoro-4-(1-phenylpropan-2-ylamino)benzonitrile
CID 55182013
[(2S)-1-(4-cyano-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 91510613
3-fluoro-4-(methylamino)benzonitrile
CID 21029569
4-(1-cyclobutylethylamino)-3-fluorobenzonitrile
CID 115766674
2-(4-cyano-2-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 99637714
2-(4-cyano-2-fluoroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 99637713
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-fluoroanilino)propanoic acid?
The IUPAC name of 2-(4-cyano-2-fluoroanilino)propanoic acid (CID 43656940) is 2-(4-cyano-2-fluoroanilino)propanoic acid.
What is the SMILES notation for 2-(4-cyano-2-fluoroanilino)propanoic acid?
The canonical SMILES for 2-(4-cyano-2-fluoroanilino)propanoic acid is CC(Nc1ccc(C#N)cc1F)C(=O)O.
What is the InChIKey of 2-(4-cyano-2-fluoroanilino)propanoic acid?
The InChIKey is IDDCCLAKPRQHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-6(10(14)15)13-9-3-2-7(5-12)4-8(9)11/h2-4,6,13H,1H3,(H,14,15).
What are the key properties of 2-(4-cyano-2-fluoroanilino)propanoic acid?
2-(4-cyano-2-fluoroanilino)propanoic acid has a molecular weight of 208.19 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-fluoroanilino)propanoic acid is sourced from PubChem (CID 43656940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).