4-amino-5,5,5-trifluoropentanoic acid

C5H8F3NO2 — CID 20543342

IUPAC4-amino-5,5,5-trifluoropentanoic acid
SMILESNC(CCC(=O)O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)3(9)1-2-4(10)11/h3H,1-2,9H2,(H,10,11)
InChIKeyFMHFLFRQGOQLBU-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.74
Rot. Bonds3

About 4-amino-5,5,5-trifluoropentanoic acid

4-amino-5,5,5-trifluoropentanoic acid (PubChem CID 20543342) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 4-amino-5,5,5-trifluoropentanoic acid.

Molecular Properties

Compound Name4-amino-5,5,5-trifluoropentanoic acid
PubChem CID20543342
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name4-amino-5,5,5-trifluoropentanoic acid
SMILESNC(CCC(=O)O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)3(9)1-2-4(10)11/h3H,1-2,9H2,(H,10,11)
InChIKeyFMHFLFRQGOQLBU-UHFFFAOYSA-N
XLogP0.74
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-5,5,5-trifluoropentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5,5-trifluoropentanoic acid?
The IUPAC name of 4-amino-5,5,5-trifluoropentanoic acid (CID 20543342) is 4-amino-5,5,5-trifluoropentanoic acid.
What is the SMILES notation for 4-amino-5,5,5-trifluoropentanoic acid?
The canonical SMILES for 4-amino-5,5,5-trifluoropentanoic acid is NC(CCC(=O)O)C(F)(F)F.
What is the InChIKey of 4-amino-5,5,5-trifluoropentanoic acid?
The InChIKey is FMHFLFRQGOQLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c6-5(7,8)3(9)1-2-4(10)11/h3H,1-2,9H2,(H,10,11).
What are the key properties of 4-amino-5,5,5-trifluoropentanoic acid?
4-amino-5,5,5-trifluoropentanoic acid has a molecular weight of 171.12 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5,5-trifluoropentanoic acid is sourced from PubChem (CID 20543342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).