(3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one

C17H15ClF2N2O — CID 135030968

IUPAC(3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one
SMILESCN(C)/N=C(\c1ccccc1)C(F)(F)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF2N2O/c1-22(2)21-15(12-6-4-3-5-7-12)17(19,20)16(23)13-8-10-14(18)11-9-13/h3-11H,1-2H3/b21-15+
InChIKeyYDQIEJJEXYGXGF-RCCKNPSSSA-N
MW336.77 g/mol
LogP4.12
Rot. Bonds5

About (3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one

(3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one (PubChem CID 135030968) has the molecular formula C17H15ClF2N2O and a molecular weight of 336.77 g/mol. Its IUPAC name is (3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one.

Molecular Properties

Compound Name(3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one
PubChem CID135030968
Molecular FormulaC17H15ClF2N2O
Molecular Weight336.77 g/mol
Exact Mass336.08
IUPAC Name(3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one
SMILESCN(C)/N=C(\c1ccccc1)C(F)(F)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF2N2O/c1-22(2)21-15(12-6-4-3-5-7-12)17(19,20)16(23)13-8-10-14(18)11-9-13/h3-11H,1-2H3/b21-15+
InChIKeyYDQIEJJEXYGXGF-RCCKNPSSSA-N
XLogP4.12
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 54.12
H-Bond Donors ≤ 50
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 (3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one?
The IUPAC name of (3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one (CID 135030968) is (3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one.
What is the SMILES notation for (3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one?
The canonical SMILES for (3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one is CN(C)/N=C(\c1ccccc1)C(F)(F)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one?
The InChIKey is YDQIEJJEXYGXGF-RCCKNPSSSA-N. The full InChI is InChI=1S/C17H15ClF2N2O/c1-22(2)21-15(12-6-4-3-5-7-12)17(19,20)16(23)13-8-10-14(18)11-9-13/h3-11H,1-2H3/b21-15+.
What are the key properties of (3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one?
(3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one has a molecular weight of 336.77 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-(4-chlorophenyl)-3-(dimethylhydrazinylidene)-2,2-difluoro-3-phenylpropan-1-one is sourced from PubChem (CID 135030968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).