2-[(2,4-difluorophenyl)diazenyl]pentanoic acid

C11H12F2N2O2 — CID 91091772

IUPAC2-[(2,4-difluorophenyl)diazenyl]pentanoic acid
SMILESCCCC(/N=N/c1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C11H12F2N2O2/c1-2-3-10(11(16)17)15-14-9-5-4-7(12)6-8(9)13/h4-6,10H,2-3H2,1H3,(H,16,17)/b15-14+
InChIKeyPHMOVKQBIYSIIW-CCEZHUSRSA-N
MW242.22 g/mol
LogP3.30
Rot. Bonds5

About 2-[(2,4-difluorophenyl)diazenyl]pentanoic acid

2-[(2,4-difluorophenyl)diazenyl]pentanoic acid (PubChem CID 91091772) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)diazenyl]pentanoic acid.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)diazenyl]pentanoic acid
PubChem CID91091772
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name2-[(2,4-difluorophenyl)diazenyl]pentanoic acid
SMILESCCCC(/N=N/c1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C11H12F2N2O2/c1-2-3-10(11(16)17)15-14-9-5-4-7(12)6-8(9)13/h4-6,10H,2-3H2,1H3,(H,16,17)/b15-14+
InChIKeyPHMOVKQBIYSIIW-CCEZHUSRSA-N
XLogP3.30
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2,4-difluorobenzoyl)amino]pentanoic acid
CID 107564266
2-(2,5-difluorophenyl)sulfanylpentanoic acid
CID 83037818
2-methyl-1-(2,4,6-trifluorophenyl)pentan-1-one
CID 43160551
2-(2,4-difluoro-N-(2-hydroxyacetyl)anilino)pentanoic acid
CID 68832723
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]pentanoic acid
CID 43631780
4-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 81009481
2-[[4-fluoro-2-(trifluoromethyl)phenyl]-hydroxymethyl]pentanoic acid
CID 83042561
N-(2,4-difluorophenyl)-2-methylpentanamide
CID 2904798
2-bromo-1-(2,5-difluorophenyl)pentan-1-one
CID 82254695
(2R)-2-[(2,4-difluorophenyl)methyl]butanoic acid
CID 94371784
3-(2,4-difluorophenyl)imino-2-(3,4,6-trifluoro-2-methylbenzoyl)pentanoic acid
CID 57165872
3-(2,5-difluoro-N-propylanilino)-2-methylpropanoic acid
CID 82317919

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)diazenyl]pentanoic acid?
The IUPAC name of 2-[(2,4-difluorophenyl)diazenyl]pentanoic acid (CID 91091772) is 2-[(2,4-difluorophenyl)diazenyl]pentanoic acid.
What is the SMILES notation for 2-[(2,4-difluorophenyl)diazenyl]pentanoic acid?
The canonical SMILES for 2-[(2,4-difluorophenyl)diazenyl]pentanoic acid is CCCC(/N=N/c1ccc(F)cc1F)C(=O)O.
What is the InChIKey of 2-[(2,4-difluorophenyl)diazenyl]pentanoic acid?
The InChIKey is PHMOVKQBIYSIIW-CCEZHUSRSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c1-2-3-10(11(16)17)15-14-9-5-4-7(12)6-8(9)13/h4-6,10H,2-3H2,1H3,(H,16,17)/b15-14+.
What are the key properties of 2-[(2,4-difluorophenyl)diazenyl]pentanoic acid?
2-[(2,4-difluorophenyl)diazenyl]pentanoic acid has a molecular weight of 242.22 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)diazenyl]pentanoic acid is sourced from PubChem (CID 91091772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).