N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide

C9H14F3NO2 — CID 103857548

IUPACN-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide
SMILESCC(C)=CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-7(2)5-8(15)13(3-4-14)6-9(10,11)12/h5,14H,3-4,6H2,1-2H3
InChIKeyUMJHSPVLICTGBB-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.34
Rot. Bonds4

About N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide

N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide (PubChem CID 103857548) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide
PubChem CID103857548
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide
SMILESCC(C)=CC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-7(2)5-8(15)13(3-4-14)6-9(10,11)12/h5,14H,3-4,6H2,1-2H3
InChIKeyUMJHSPVLICTGBB-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide 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-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide (CID 103857548) is N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide is CC(C)=CC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide?
The InChIKey is UMJHSPVLICTGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-7(2)5-8(15)13(3-4-14)6-9(10,11)12/h5,14H,3-4,6H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide?
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide has a molecular weight of 225.21 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-enamide is sourced from PubChem (CID 103857548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).