N-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide

C6H8F3NO3 — CID 162572267

IUPACN-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide
SMILESCCCC(=O)N(O)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-2-3-4(11)10(13)5(12)6(7,8)9/h13H,2-3H2,1H3
InChIKeyZEJWWTDDJUTJCR-UHFFFAOYSA-N
MW199.13 g/mol
LogP1.09
Rot. Bonds2

About N-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide

N-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide (PubChem CID 162572267) has the molecular formula C6H8F3NO3 and a molecular weight of 199.13 g/mol. Its IUPAC name is N-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide.

Molecular Properties

Compound NameN-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide
PubChem CID162572267
Molecular FormulaC6H8F3NO3
Molecular Weight199.13 g/mol
Exact Mass199.05
IUPAC NameN-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide
SMILESCCCC(=O)N(O)C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-2-3-4(11)10(13)5(12)6(7,8)9/h13H,2-3H2,1H3
InChIKeyZEJWWTDDJUTJCR-UHFFFAOYSA-N
XLogP1.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-N-(2,2,2-trifluoroacetyl)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 N-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide?
The IUPAC name of N-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide (CID 162572267) is N-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide.
What is the SMILES notation for N-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide?
The canonical SMILES for N-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide is CCCC(=O)N(O)C(=O)C(F)(F)F.
What is the InChIKey of N-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide?
The InChIKey is ZEJWWTDDJUTJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3/c1-2-3-4(11)10(13)5(12)6(7,8)9/h13H,2-3H2,1H3.
What are the key properties of N-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide?
N-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide has a molecular weight of 199.13 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(2,2,2-trifluoroacetyl)butanamide is sourced from PubChem (CID 162572267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).