3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid

C10H10F3NO4 — CID 110838662

IUPAC3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid
SMILESO=C(O)CC(CNC(=O)C(F)(F)F)c1ccco1
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)9(17)14-5-6(4-8(15)16)7-2-1-3-18-7/h1-3,6H,4-5H2,(H,14,17)(H,15,16)
InChIKeySQONEZUFJMDTCA-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.52
Rot. Bonds5

About 3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid

3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid (PubChem CID 110838662) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid
PubChem CID110838662
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid
SMILESO=C(O)CC(CNC(=O)C(F)(F)F)c1ccco1
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)9(17)14-5-6(4-8(15)16)7-2-1-3-18-7/h1-3,6H,4-5H2,(H,14,17)(H,15,16)
InChIKeySQONEZUFJMDTCA-UHFFFAOYSA-N
XLogP1.52
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]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 3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid?
The IUPAC name of 3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid (CID 110838662) is 3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid.
What is the SMILES notation for 3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid?
The canonical SMILES for 3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid is O=C(O)CC(CNC(=O)C(F)(F)F)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid?
The InChIKey is SQONEZUFJMDTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c11-10(12,13)9(17)14-5-6(4-8(15)16)7-2-1-3-18-7/h1-3,6H,4-5H2,(H,14,17)(H,15,16).
What are the key properties of 3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid?
3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid has a molecular weight of 265.19 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-[(2,2,2-trifluoroacetyl)amino]butanoic acid is sourced from PubChem (CID 110838662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).