(3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one

C11H11F3N2O — CID 10977676

IUPAC(3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one
SMILESCN/N=C(/C(=O)C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C11H11F3N2O/c1-7-3-5-8(6-4-7)9(16-15-2)10(17)11(12,13)14/h3-6,15H,1-2H3/b16-9+
InChIKeyZVYJIGOAPMHVKS-CXUHLZMHSA-N
MW244.22 g/mol
LogP2.05
Rot. Bonds3

About (3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one

(3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one (PubChem CID 10977676) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is (3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name(3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one
PubChem CID10977676
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name(3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one
SMILESCN/N=C(/C(=O)C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C11H11F3N2O/c1-7-3-5-8(6-4-7)9(16-15-2)10(17)11(12,13)14/h3-6,15H,1-2H3/b16-9+
InChIKeyZVYJIGOAPMHVKS-CXUHLZMHSA-N
XLogP2.05
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 (3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one?
The IUPAC name of (3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one (CID 10977676) is (3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for (3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for (3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one is CN/N=C(/C(=O)C(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of (3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one?
The InChIKey is ZVYJIGOAPMHVKS-CXUHLZMHSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-7-3-5-8(6-4-7)9(16-15-2)10(17)11(12,13)14/h3-6,15H,1-2H3/b16-9+.
What are the key properties of (3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one?
(3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one has a molecular weight of 244.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1,1-trifluoro-3-(methylhydrazinylidene)-3-(4-methylphenyl)propan-2-one is sourced from PubChem (CID 10977676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).