4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile

C15H19F2NSi — CID 71552314

IUPAC4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile
SMILESCC[Si](CC)(CC)C(=C(F)F)c1ccc(C#N)cc1
InChIInChI=1S/C15H19F2NSi/c1-4-19(5-2,6-3)14(15(16)17)13-9-7-12(11-18)8-10-13/h7-10H,4-6H2,1-3H3
InChIKeyMRKLMURSCHVOQK-UHFFFAOYSA-N
MW279.41 g/mol
LogP5.21
Rot. Bonds5

About 4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile

4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile (PubChem CID 71552314) has the molecular formula C15H19F2NSi and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile.

Molecular Properties

Compound Name4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile
PubChem CID71552314
Molecular FormulaC15H19F2NSi
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile
SMILESCC[Si](CC)(CC)C(=C(F)F)c1ccc(C#N)cc1
InChIInChI=1S/C15H19F2NSi/c1-4-19(5-2,6-3)14(15(16)17)13-9-7-12(11-18)8-10-13/h7-10H,4-6H2,1-3H3
InChIKeyMRKLMURSCHVOQK-UHFFFAOYSA-N
XLogP5.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.41
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-triethylsilylcarbonylbenzonitrile
CID 11413901
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-ethylbenzonitrile;fluoromethane
CID 143083977
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
4-oct-1-en-3-yn-2-ylbenzonitrile
CID 171726824
4-[1,2-dichloro-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 139674424
4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile
CID 134569639
2-(4-cyanophenyl)ethene-1,1,2-tricarbonitrile
CID 121012832
4-[5-(4-cyanophenyl)hexa-1,5-dien-2-yl]benzonitrile
CID 122403774
ethanol;4-[2,3,4,5,6-pentakis(4-cyanophenyl)phenyl]benzonitrile
CID 139144298
2-(4-cyanobenzoyl)butanoic acid
CID 67830865
4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile
CID 101125780

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile?
The IUPAC name of 4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile (CID 71552314) is 4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile.
What is the SMILES notation for 4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile?
The canonical SMILES for 4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile is CC[Si](CC)(CC)C(=C(F)F)c1ccc(C#N)cc1.
What is the InChIKey of 4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile?
The InChIKey is MRKLMURSCHVOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NSi/c1-4-19(5-2,6-3)14(15(16)17)13-9-7-12(11-18)8-10-13/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile?
4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile has a molecular weight of 279.41 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile is sourced from PubChem (CID 71552314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).