(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide

C8H12F3N3O — CID 177229975

IUPAC(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide
SMILESC=C/C(=N\N(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-4-6(13-14(2)3)7(15)12-5-8(9,10)11/h4H,1,5H2,2-3H3,(H,12,15)/b13-6+
InChIKeySUUYTGOOCVWCPK-AWNIVKPZSA-N
MW223.20 g/mol
LogP0.77
Rot. Bonds4

About (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide

(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide (PubChem CID 177229975) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide.

Molecular Properties

Compound Name(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide
PubChem CID177229975
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide
SMILESC=C/C(=N\N(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-4-6(13-14(2)3)7(15)12-5-8(9,10)11/h4H,1,5H2,2-3H3,(H,12,15)/b13-6+
InChIKeySUUYTGOOCVWCPK-AWNIVKPZSA-N
XLogP0.77
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane
CID 177229974
(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide
CID 177230000
(2E)-2-(diethylhydrazinylidene)-N-methylbut-3-enamide
CID 89057134
(2E)-2-[ethyl(methyl)hydrazinylidene]-N-methylbut-3-enamide
CID 145062592
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide
CID 171523312
N-[(2E)-2-(methylidenehydrazinylidene)but-3-enyl]propanamide;molecular hydrogen
CID 171523476
N-[(2E)-2-(dimethylhydrazinylidene)but-3-enyl]-2-methylpropanamide
CID 171523716
(2E)-N-(3,3-difluoropropyl)-2-(dimethylhydrazinylidene)but-3-enamide;ethane
CID 177229999

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide?
The IUPAC name of (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide (CID 177229975) is (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide.
What is the SMILES notation for (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide?
The canonical SMILES for (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide is C=C/C(=N\N(C)C)C(=O)NCC(F)(F)F.
What is the InChIKey of (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide?
The InChIKey is SUUYTGOOCVWCPK-AWNIVKPZSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-4-6(13-14(2)3)7(15)12-5-8(9,10)11/h4H,1,5H2,2-3H3,(H,12,15)/b13-6+.
What are the key properties of (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide?
(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide has a molecular weight of 223.20 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide is sourced from PubChem (CID 177229975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).