4-(2,6-difluoroanilino)butanoic acid

C10H11F2NO2 — CID 28974618

IUPAC4-(2,6-difluoroanilino)butanoic acid
SMILESO=C(O)CCCNc1c(F)cccc1F
InChIInChI=1S/C10H11F2NO2/c11-7-3-1-4-8(12)10(7)13-6-2-5-9(14)15/h1,3-4,13H,2,5-6H2,(H,14,15)
InChIKeyLOXVQPFRXXMLFV-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.24
Rot. Bonds5

About 4-(2,6-difluoroanilino)butanoic acid

4-(2,6-difluoroanilino)butanoic acid (PubChem CID 28974618) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 4-(2,6-difluoroanilino)butanoic acid.

Molecular Properties

Compound Name4-(2,6-difluoroanilino)butanoic acid
PubChem CID28974618
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name4-(2,6-difluoroanilino)butanoic acid
SMILESO=C(O)CCCNc1c(F)cccc1F
InChIInChI=1S/C10H11F2NO2/c11-7-3-1-4-8(12)10(7)13-6-2-5-9(14)15/h1,3-4,13H,2,5-6H2,(H,14,15)
InChIKeyLOXVQPFRXXMLFV-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine
CID 22968008
3-(2,6-difluoroanilino)propan-1-ol;ethane
CID 156637319
methyl 3-(2,6-difluoroanilino)propanoate
CID 43365450
4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
CID 107013328
3-(2-fluoro-6-nitroanilino)propanoic acid
CID 23111109
4-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]butanoic acid
CID 122058454
4-[(8-fluoroquinazolin-4-yl)amino]butanoic acid
CID 122058507
6-(2,6-dibromoanilino)hexanoic acid
CID 107599094
3-fluoro-2-(4-hydroxybutylamino)benzoic acid
CID 106842392
4-(3-chloro-2-fluoroanilino)butanoic acid
CID 28969211
5-anilinopentanoic acid
CID 28972030
2,6-difluoro-N-(4-phenylbutyl)aniline
CID 114333174

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoroanilino)butanoic acid?
The IUPAC name of 4-(2,6-difluoroanilino)butanoic acid (CID 28974618) is 4-(2,6-difluoroanilino)butanoic acid.
What is the SMILES notation for 4-(2,6-difluoroanilino)butanoic acid?
The canonical SMILES for 4-(2,6-difluoroanilino)butanoic acid is O=C(O)CCCNc1c(F)cccc1F.
What is the InChIKey of 4-(2,6-difluoroanilino)butanoic acid?
The InChIKey is LOXVQPFRXXMLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c11-7-3-1-4-8(12)10(7)13-6-2-5-9(14)15/h1,3-4,13H,2,5-6H2,(H,14,15).
What are the key properties of 4-(2,6-difluoroanilino)butanoic acid?
4-(2,6-difluoroanilino)butanoic acid has a molecular weight of 215.20 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoroanilino)butanoic acid is sourced from PubChem (CID 28974618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).