(3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one

C10H11F3N2OS — CID 134992814

IUPAC(3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one
SMILESCN(C)/N=C(\CC(=O)c1cccs1)C(F)(F)F
InChIInChI=1S/C10H11F3N2OS/c1-15(2)14-9(10(11,12)13)6-7(16)8-4-3-5-17-8/h3-5H,6H2,1-2H3/b14-9+
InChIKeyYKGMVXVRMPQZKY-NTEUORMPSA-N
MW264.27 g/mol
LogP2.80
Rot. Bonds4

About (3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one

(3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one (PubChem CID 134992814) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is (3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name(3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one
PubChem CID134992814
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name(3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one
SMILESCN(C)/N=C(\CC(=O)c1cccs1)C(F)(F)F
InChIInChI=1S/C10H11F3N2OS/c1-15(2)14-9(10(11,12)13)6-7(16)8-4-3-5-17-8/h3-5H,6H2,1-2H3/b14-9+
InChIKeyYKGMVXVRMPQZKY-NTEUORMPSA-N
XLogP2.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one 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 (3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one?
The IUPAC name of (3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one (CID 134992814) is (3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for (3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for (3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one is CN(C)/N=C(\CC(=O)c1cccs1)C(F)(F)F.
What is the InChIKey of (3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one?
The InChIKey is YKGMVXVRMPQZKY-NTEUORMPSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c1-15(2)14-9(10(11,12)13)6-7(16)8-4-3-5-17-8/h3-5H,6H2,1-2H3/b14-9+.
What are the key properties of (3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one?
(3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one has a molecular weight of 264.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(dimethylhydrazinylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 134992814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).