4-[(2,2,2-trifluoroacetyl)amino]butanamide

C6H9F3N2O2 — CID 57487269

IUPAC4-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESNC(=O)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)5(13)11-3-1-2-4(10)12/h1-3H2,(H2,10,12)(H,11,13)
InChIKeyPWUUPGUYOPWOSJ-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.07
Rot. Bonds4

About 4-[(2,2,2-trifluoroacetyl)amino]butanamide

4-[(2,2,2-trifluoroacetyl)amino]butanamide (PubChem CID 57487269) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is 4-[(2,2,2-trifluoroacetyl)amino]butanamide.

Molecular Properties

Compound Name4-[(2,2,2-trifluoroacetyl)amino]butanamide
PubChem CID57487269
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC Name4-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESNC(=O)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)5(13)11-3-1-2-4(10)12/h1-3H2,(H2,10,12)(H,11,13)
InChIKeyPWUUPGUYOPWOSJ-UHFFFAOYSA-N
XLogP-0.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2,2,2-trifluoroacetyl)amino]butanamide 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-[(2,2,2-trifluoroacetyl)amino]butanamide?
The IUPAC name of 4-[(2,2,2-trifluoroacetyl)amino]butanamide (CID 57487269) is 4-[(2,2,2-trifluoroacetyl)amino]butanamide.
What is the SMILES notation for 4-[(2,2,2-trifluoroacetyl)amino]butanamide?
The canonical SMILES for 4-[(2,2,2-trifluoroacetyl)amino]butanamide is NC(=O)CCCNC(=O)C(F)(F)F.
What is the InChIKey of 4-[(2,2,2-trifluoroacetyl)amino]butanamide?
The InChIKey is PWUUPGUYOPWOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c7-6(8,9)5(13)11-3-1-2-4(10)12/h1-3H2,(H2,10,12)(H,11,13).
What are the key properties of 4-[(2,2,2-trifluoroacetyl)amino]butanamide?
4-[(2,2,2-trifluoroacetyl)amino]butanamide has a molecular weight of 198.14 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,2-trifluoroacetyl)amino]butanamide is sourced from PubChem (CID 57487269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).