benzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane

C12H15F5OSi — CID 90173357

IUPACbenzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane
SMILESCC[Si](Cc1ccccc1)(CC(F)F)OC(F)(F)F
InChIInChI=1S/C12H15F5OSi/c1-2-19(9-11(13)14,18-12(15,16)17)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyQSHWHLDERWHXDS-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.54
Rot. Bonds6

About benzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane

benzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane (PubChem CID 90173357) has the molecular formula C12H15F5OSi and a molecular weight of 298.33 g/mol. Its IUPAC name is benzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane.

Molecular Properties

Compound Namebenzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane
PubChem CID90173357
Molecular FormulaC12H15F5OSi
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC Namebenzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane
SMILESCC[Si](Cc1ccccc1)(CC(F)F)OC(F)(F)F
InChIInChI=1S/C12H15F5OSi/c1-2-19(9-11(13)14,18-12(15,16)17)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyQSHWHLDERWHXDS-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzyl-diethyl-methoxysilane
CID 13486120
benzyl-ethoxy-diethylsilane
CID 13486124
benzyl-(difluoromethoxy)-propan-2-yloxy-(trifluoromethoxy)silane
CID 90171485
tribenzyl-[diethyl(propyl)silyl]oxysilane
CID 140568536
methane;triethyl-[fluoro(phenyl)methoxy]silane
CID 20979577
benzyl-fluoro-(fluoromethoxy)-(trifluoromethoxy)silane
CID 68659937
diethyl-methoxy-[[4-(trifluoromethyl)phenyl]methyl]silane
CID 90171015
CID 11981400
CID 11981400
benzyl(triethoxy)silane;propan-2-ol
CID 172724025
[ethoxy(phenyl)methoxy]-triethylsilane
CID 139842953
tribenzyl-[2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-tribenzylsilyloxyphenyl)ethyl]phenoxy]silane
CID 139887592
ethane;2,2,2-trifluoroethylbenzene
CID 142152613

Frequently Asked Questions

What is the IUPAC name of benzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane?
The IUPAC name of benzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane (CID 90173357) is benzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane.
What is the SMILES notation for benzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane?
The canonical SMILES for benzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane is CC[Si](Cc1ccccc1)(CC(F)F)OC(F)(F)F.
What is the InChIKey of benzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane?
The InChIKey is QSHWHLDERWHXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5OSi/c1-2-19(9-11(13)14,18-12(15,16)17)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of benzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane?
benzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane has a molecular weight of 298.33 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(2,2-difluoroethyl)-ethyl-(trifluoromethoxy)silane is sourced from PubChem (CID 90173357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).