(6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one

C15H19F3N2O — CID 138968094

IUPAC(6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one
SMILESCN(C)/N=C/CCCCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-20(2)19-11-5-3-4-6-14(21)12-7-9-13(10-8-12)15(16,17)18/h7-11H,3-6H2,1-2H3/b19-11+
InChIKeyNTWGZSDFWGYJNM-YBFXNURJSA-N
MW300.32 g/mol
LogP4.00
Rot. Bonds7

About (6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one

(6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one (PubChem CID 138968094) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is (6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one.

Molecular Properties

Compound Name(6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one
PubChem CID138968094
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name(6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one
SMILESCN(C)/N=C/CCCCC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O/c1-20(2)19-11-5-3-4-6-14(21)12-7-9-13(10-8-12)15(16,17)18/h7-11H,3-6H2,1-2H3/b19-11+
InChIKeyNTWGZSDFWGYJNM-YBFXNURJSA-N
XLogP4.00
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 (6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one?
The IUPAC name of (6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one (CID 138968094) is (6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one.
What is the SMILES notation for (6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one?
The canonical SMILES for (6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one is CN(C)/N=C/CCCCC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one?
The InChIKey is NTWGZSDFWGYJNM-YBFXNURJSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-20(2)19-11-5-3-4-6-14(21)12-7-9-13(10-8-12)15(16,17)18/h7-11H,3-6H2,1-2H3/b19-11+.
What are the key properties of (6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one?
(6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one has a molecular weight of 300.32 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(dimethylhydrazinylidene)-1-[4-(trifluoromethyl)phenyl]hexan-1-one is sourced from PubChem (CID 138968094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).