(Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide

C7H9F3N2O — CID 130242733

IUPAC(Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide
SMILESC=N/C(=C(/C)C(=O)NC)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-4(6(13)12-3)5(11-2)7(8,9)10/h2H2,1,3H3,(H,12,13)/b5-4-
InChIKeyMLWQLHGNRAUUIA-PLNGDYQASA-N
MW194.16 g/mol
LogP1.27
Rot. Bonds2

About (Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide

(Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide (PubChem CID 130242733) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide
PubChem CID130242733
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name(Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide
SMILESC=N/C(=C(/C)C(=O)NC)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-4(6(13)12-3)5(11-2)7(8,9)10/h2H2,1,3H3,(H,12,13)/b5-4-
InChIKeyMLWQLHGNRAUUIA-PLNGDYQASA-N
XLogP1.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)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 (Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide?
The IUPAC name of (Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide (CID 130242733) is (Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide.
What is the SMILES notation for (Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide?
The canonical SMILES for (Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide is C=N/C(=C(/C)C(=O)NC)C(F)(F)F.
What is the InChIKey of (Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide?
The InChIKey is MLWQLHGNRAUUIA-PLNGDYQASA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-4(6(13)12-3)5(11-2)7(8,9)10/h2H2,1,3H3,(H,12,13)/b5-4-.
What are the key properties of (Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide?
(Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide has a molecular weight of 194.16 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-N,2-dimethyl-3-(methylideneamino)but-2-enamide is sourced from PubChem (CID 130242733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).