(Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one

C10H11F3N2OS — CID 12981653

IUPAC(Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one
SMILESCN(C)N/C(=C\C(=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/h3-6,14H,1-2H3/b9-6-
InChIKeyWYZGHNQVLKTNPL-TWGQIWQCSA-N
MW264.27 g/mol
LogP2.44
Rot. Bonds4

About (Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one

(Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one (PubChem CID 12981653) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is (Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one
PubChem CID12981653
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name(Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one
SMILESCN(C)N/C(=C\C(=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/h3-6,14H,1-2H3/b9-6-
InChIKeyWYZGHNQVLKTNPL-TWGQIWQCSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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 (Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one?
The IUPAC name of (Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one (CID 12981653) is (Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one.
What is the SMILES notation for (Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one?
The canonical SMILES for (Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one is CN(C)N/C(=C\C(=O)c1cccs1)C(F)(F)F.
What is the InChIKey of (Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one?
The InChIKey is WYZGHNQVLKTNPL-TWGQIWQCSA-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/h3-6,14H,1-2H3/b9-6-.
What are the key properties of (Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one?
(Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one has a molecular weight of 264.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,2-dimethylhydrazinyl)-4,4,4-trifluoro-1-thiophen-2-ylbut-2-en-1-one is sourced from PubChem (CID 12981653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).