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

C10H18F3N3O — CID 177229974

IUPAC(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane
SMILESC=C/C(=N\N(C)C)C(=O)NCC(F)(F)F.CC
InChIInChI=1S/C8H12F3N3O.C2H6/c1-4-6(13-14(2)3)7(15)12-5-8(9,10)11;1-2/h4H,1,5H2,2-3H3,(H,12,15);1-2H3/b13-6+;
InChIKeyXRFNNSQIFLGEQH-AWFSDRIXSA-N
MW253.27 g/mol
LogP1.79
Rot. Bonds4

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

(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane (PubChem CID 177229974) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane.

Molecular Properties

Compound Name(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane
PubChem CID177229974
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane
SMILESC=C/C(=N\N(C)C)C(=O)NCC(F)(F)F.CC
InChIInChI=1S/C8H12F3N3O.C2H6/c1-4-6(13-14(2)3)7(15)12-5-8(9,10)11;1-2/h4H,1,5H2,2-3H3,(H,12,15);1-2H3/b13-6+;
InChIKeyXRFNNSQIFLGEQH-AWFSDRIXSA-N
XLogP1.79
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane?
The IUPAC name of (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane (CID 177229974) is (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane.
What is the SMILES notation for (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane?
The canonical SMILES for (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane is C=C/C(=N\N(C)C)C(=O)NCC(F)(F)F.CC.
What is the InChIKey of (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane?
The InChIKey is XRFNNSQIFLGEQH-AWFSDRIXSA-N. The full InChI is InChI=1S/C8H12F3N3O.C2H6/c1-4-6(13-14(2)3)7(15)12-5-8(9,10)11;1-2/h4H,1,5H2,2-3H3,(H,12,15);1-2H3/b13-6+;.
What are the key properties of (2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane?
(2E)-2-(dimethylhydrazinylidene)-N-(2,2,2-trifluoroethyl)but-3-enamide;ethane has a molecular weight of 253.27 g/mol, XLogP of 1.79, 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;ethane is sourced from PubChem (CID 177229974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).