5-(2,4,5-trifluoroanilino)pentanoic acid

C11H12F3NO2 — CID 62815917

IUPAC5-(2,4,5-trifluoroanilino)pentanoic acid
SMILESO=C(O)CCCCNc1cc(F)c(F)cc1F
InChIInChI=1S/C11H12F3NO2/c12-7-5-9(14)10(6-8(7)13)15-4-2-1-3-11(16)17/h5-6,15H,1-4H2,(H,16,17)
InChIKeyOHANIEVTJZIFMO-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.77
Rot. Bonds6

About 5-(2,4,5-trifluoroanilino)pentanoic acid

5-(2,4,5-trifluoroanilino)pentanoic acid (PubChem CID 62815917) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 5-(2,4,5-trifluoroanilino)pentanoic acid.

Molecular Properties

Compound Name5-(2,4,5-trifluoroanilino)pentanoic acid
PubChem CID62815917
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name5-(2,4,5-trifluoroanilino)pentanoic acid
SMILESO=C(O)CCCCNc1cc(F)c(F)cc1F
InChIInChI=1S/C11H12F3NO2/c12-7-5-9(14)10(6-8(7)13)15-4-2-1-3-11(16)17/h5-6,15H,1-4H2,(H,16,17)
InChIKeyOHANIEVTJZIFMO-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-difluoroanilino)pentanoic acid
CID 28972140
3-(5-bromo-2,4-difluoroanilino)propanoic acid
CID 102853464
6-(2-chloro-5-fluoroanilino)hexanoic acid
CID 107528389
4-(4-carbamoyl-2-fluoroanilino)butanoic acid
CID 43656925
5-anilinopentanoic acid
CID 28972030
7-(5-bromo-4-fluoro-2-nitroanilino)heptanoic acid
CID 116736576
4-(2-fluoro-5-nitroanilino)butanoic acid
CID 18073180
4-(5-bromo-4-fluoro-2-methylanilino)butanoic acid
CID 107591963
5-(4-chloro-2-methylanilino)pentanoic acid
CID 28972078
5-(5-fluoro-2-nitroanilino)pentanoic acid
CID 18695414
7-(2-cyano-4-fluoroanilino)heptanoic acid
CID 63663443
6-(2-cyano-4-fluoroanilino)hexanoic acid
CID 63663440

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,5-trifluoroanilino)pentanoic acid?
The IUPAC name of 5-(2,4,5-trifluoroanilino)pentanoic acid (CID 62815917) is 5-(2,4,5-trifluoroanilino)pentanoic acid.
What is the SMILES notation for 5-(2,4,5-trifluoroanilino)pentanoic acid?
The canonical SMILES for 5-(2,4,5-trifluoroanilino)pentanoic acid is O=C(O)CCCCNc1cc(F)c(F)cc1F.
What is the InChIKey of 5-(2,4,5-trifluoroanilino)pentanoic acid?
The InChIKey is OHANIEVTJZIFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-7-5-9(14)10(6-8(7)13)15-4-2-1-3-11(16)17/h5-6,15H,1-4H2,(H,16,17).
What are the key properties of 5-(2,4,5-trifluoroanilino)pentanoic acid?
5-(2,4,5-trifluoroanilino)pentanoic acid has a molecular weight of 247.22 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,5-trifluoroanilino)pentanoic acid is sourced from PubChem (CID 62815917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).