trimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane

C16H23F3Si2 — CID 164686960

IUPACtrimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane
SMILESC[Si](C)(C)C(=C=Cc1ccc(C(F)(F)F)cc1)[Si](C)(C)C
InChIInChI=1S/C16H23F3Si2/c1-20(2,3)15(21(4,5)6)12-9-13-7-10-14(11-8-13)16(17,18)19/h7-11H,1-6H3
InChIKeyOEJZAEANDNTBNW-UHFFFAOYSA-N
MW328.53 g/mol
LogP6.00
Rot. Bonds3

About trimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane

trimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane (PubChem CID 164686960) has the molecular formula C16H23F3Si2 and a molecular weight of 328.53 g/mol. Its IUPAC name is trimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane
PubChem CID164686960
Molecular FormulaC16H23F3Si2
Molecular Weight328.53 g/mol
Exact Mass328.13
IUPAC Nametrimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane
SMILESC[Si](C)(C)C(=C=Cc1ccc(C(F)(F)F)cc1)[Si](C)(C)C
InChIInChI=1S/C16H23F3Si2/c1-20(2,3)15(21(4,5)6)12-9-13-7-10-14(11-8-13)16(17,18)19/h7-11H,1-6H3
InChIKeyOEJZAEANDNTBNW-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.53
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]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

Trimethylbenzylsilane
CID 69862
p-Tolyltrimethylsilane
CID 298149
4-Methylbenzotrifluoride
CID 80230
Silane, trimethyl-O-tolyl-
CID 522544
1-Ethenyl-4-(trifluoromethyl)benzene
CID 2782798
Benzene, [(dimethylsilyl)methyl]-
CID 6328719
alpha,alpha,alpha-Tris(trimethylsilyl)ethylbenzene
CID 142009
1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene
CID 4178887
(P-Tolyl)triethylsilane
CID 4588896
4-n-Butylbenzotrifluoride
CID 13152545
Benzene, 1,1'-((dimethylsilylene)bis(methylene))bis-
CID 87380
1-Methyl-4-(2,2,2-trifluoroethyl)benzene
CID 285370

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane?
The IUPAC name of trimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane (CID 164686960) is trimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane.
What is the SMILES notation for trimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane?
The canonical SMILES for trimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane is C[Si](C)(C)C(=C=Cc1ccc(C(F)(F)F)cc1)[Si](C)(C)C.
What is the InChIKey of trimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane?
The InChIKey is OEJZAEANDNTBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3Si2/c1-20(2,3)15(21(4,5)6)12-9-13-7-10-14(11-8-13)16(17,18)19/h7-11H,1-6H3.
What are the key properties of trimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane?
trimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane has a molecular weight of 328.53 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[4-(trifluoromethyl)phenyl]-1-trimethylsilylpropa-1,2-dienyl]silane is sourced from PubChem (CID 164686960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).