4,4,4-trifluoro-3-(propylamino)butanoic acid

C7H12F3NO2 — CID 143432701

IUPAC4,4,4-trifluoro-3-(propylamino)butanoic acid
SMILESCCCNC(CC(=O)O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-3-11-5(4-6(12)13)7(8,9)10/h5,11H,2-4H2,1H3,(H,12,13)
InChIKeyLVHOAFKXLKYQOA-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.39
Rot. Bonds5

About 4,4,4-trifluoro-3-(propylamino)butanoic acid

4,4,4-trifluoro-3-(propylamino)butanoic acid (PubChem CID 143432701) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(propylamino)butanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(propylamino)butanoic acid
PubChem CID143432701
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name4,4,4-trifluoro-3-(propylamino)butanoic acid
SMILESCCCNC(CC(=O)O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-3-11-5(4-6(12)13)7(8,9)10/h5,11H,2-4H2,1H3,(H,12,13)
InChIKeyLVHOAFKXLKYQOA-UHFFFAOYSA-N
XLogP1.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-3-(propylamino)butanoic 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 4,4,4-trifluoro-3-(propylamino)butanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-(propylamino)butanoic acid (CID 143432701) is 4,4,4-trifluoro-3-(propylamino)butanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-(propylamino)butanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-(propylamino)butanoic acid is CCCNC(CC(=O)O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(propylamino)butanoic acid?
The InChIKey is LVHOAFKXLKYQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-2-3-11-5(4-6(12)13)7(8,9)10/h5,11H,2-4H2,1H3,(H,12,13).
What are the key properties of 4,4,4-trifluoro-3-(propylamino)butanoic acid?
4,4,4-trifluoro-3-(propylamino)butanoic acid has a molecular weight of 199.17 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(propylamino)butanoic acid is sourced from PubChem (CID 143432701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).