triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane

C17H25F3OSi — CID 25242885

IUPACtriethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane
SMILESCC[Si](CC)(CC)/C(=C/C(F)(F)F)Cc1ccc(OC)cc1
InChIInChI=1S/C17H25F3OSi/c1-5-22(6-2,7-3)16(13-17(18,19)20)12-14-8-10-15(21-4)11-9-14/h8-11,13H,5-7,12H2,1-4H3/b16-13+
InChIKeyZFBHCYBAJYGCCJ-DTQAZKPQSA-N
MW330.47 g/mol
LogP5.77
Rot. Bonds7

About triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane

triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane (PubChem CID 25242885) has the molecular formula C17H25F3OSi and a molecular weight of 330.47 g/mol. Its IUPAC name is triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane.

Molecular Properties

Compound Nametriethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane
PubChem CID25242885
Molecular FormulaC17H25F3OSi
Molecular Weight330.47 g/mol
Exact Mass330.16
IUPAC Nametriethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane
SMILESCC[Si](CC)(CC)/C(=C/C(F)(F)F)Cc1ccc(OC)cc1
InChIInChI=1S/C17H25F3OSi/c1-5-22(6-2,7-3)16(13-17(18,19)20)12-14-8-10-15(21-4)11-9-14/h8-11,13H,5-7,12H2,1-4H3/b16-13+
InChIKeyZFBHCYBAJYGCCJ-DTQAZKPQSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.47
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane 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

[(E)-1,1-difluoro-4-(4-methoxyphenyl)but-2-en-2-yl]-triethylsilane
CID 25243104
triethyl-[(E)-1-(4-methoxyphenyl)prop-1-enyl]silane
CID 164735856
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
(E)-4,4-difluoro-1-(4-methoxyphenyl)-2-triethylsilylbut-2-en-1-ol
CID 25243269
2-(4-methoxyphenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6258756
6,6,6-trifluoro-1-(4-methoxyphenyl)hexan-2-one
CID 113326821
2-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 690614
1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene
CID 71499549
1-(4-methoxyphenyl)-3-propylhexan-2-one
CID 82986928
2,2-difluoro-3-(4-methoxyphenyl)propanal
CID 54572596
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
CID 76997095
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326

Frequently Asked Questions

What is the IUPAC name of triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane?
The IUPAC name of triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane (CID 25242885) is triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane.
What is the SMILES notation for triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane?
The canonical SMILES for triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane is CC[Si](CC)(CC)/C(=C/C(F)(F)F)Cc1ccc(OC)cc1.
What is the InChIKey of triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane?
The InChIKey is ZFBHCYBAJYGCCJ-DTQAZKPQSA-N. The full InChI is InChI=1S/C17H25F3OSi/c1-5-22(6-2,7-3)16(13-17(18,19)20)12-14-8-10-15(21-4)11-9-14/h8-11,13H,5-7,12H2,1-4H3/b16-13+.
What are the key properties of triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane?
triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane has a molecular weight of 330.47 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)but-2-en-2-yl]silane is sourced from PubChem (CID 25242885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).