N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide

C9H13F3N2O — CID 172623392

IUPACN-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide
SMILESC=C(CN1CC(C(F)(F)F)C1)C(=O)NC
InChIInChI=1S/C9H13F3N2O/c1-6(8(15)13-2)3-14-4-7(5-14)9(10,11)12/h7H,1,3-5H2,2H3,(H,13,15)
InChIKeyMZZHOYCZMUAVKQ-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.78
Rot. Bonds3

About N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide

N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide (PubChem CID 172623392) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide
PubChem CID172623392
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide
SMILESC=C(CN1CC(C(F)(F)F)C1)C(=O)NC
InChIInChI=1S/C9H13F3N2O/c1-6(8(15)13-2)3-14-4-7(5-14)9(10,11)12/h7H,1,3-5H2,2H3,(H,13,15)
InChIKeyMZZHOYCZMUAVKQ-UHFFFAOYSA-N
XLogP0.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-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

Related Compounds

2-[(3-fluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide
CID 172623407
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide
CID 172623955
2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide
CID 172623971
N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide
CID 172624010
N-tert-butyl-2-[(3,3-difluoroazetidin-1-yl)methyl]prop-2-enamide
CID 176757664
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-(2,2-dimethylpropyl)prop-2-enamide
CID 176757841
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide
CID 177013560
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-N-methylprop-2-enamide
CID 177013656
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-(2,2-dimethylpropyl)prop-2-enamide;molecular hydrogen
CID 177014845
2-[(3,3-Difluoroazetidin-1-yl)methyl]prop-2-enamide;ethane
CID 177014891
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide;ethane
CID 177014956
2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 144653007

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide?
The IUPAC name of N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide (CID 172623392) is N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide?
The canonical SMILES for N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide is C=C(CN1CC(C(F)(F)F)C1)C(=O)NC.
What is the InChIKey of N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide?
The InChIKey is MZZHOYCZMUAVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6(8(15)13-2)3-14-4-7(5-14)9(10,11)12/h7H,1,3-5H2,2H3,(H,13,15).
What are the key properties of N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide?
N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide has a molecular weight of 222.21 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide is sourced from PubChem (CID 172623392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).