benzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane

C13H17F5O3Si — CID 87444473

IUPACbenzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane
SMILESCCO[Si](Cc1ccccc1)(OCC)OC(F)(F)C(F)(F)F
InChIInChI=1S/C13H17F5O3Si/c1-3-19-22(20-4-2,10-11-8-6-5-7-9-11)21-13(17,18)12(14,15)16/h5-9H,3-4,10H2,1-2H3
InChIKeyVBCARZGUFTZTSL-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.95
Rot. Bonds8

About benzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane

benzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane (PubChem CID 87444473) has the molecular formula C13H17F5O3Si and a molecular weight of 344.35 g/mol. Its IUPAC name is benzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane.

Molecular Properties

Compound Namebenzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane
PubChem CID87444473
Molecular FormulaC13H17F5O3Si
Molecular Weight344.35 g/mol
Exact Mass344.09
IUPAC Namebenzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane
SMILESCCO[Si](Cc1ccccc1)(OCC)OC(F)(F)C(F)(F)F
InChIInChI=1S/C13H17F5O3Si/c1-3-19-22(20-4-2,10-11-8-6-5-7-9-11)21-13(17,18)12(14,15)16/h5-9H,3-4,10H2,1-2H3
InChIKeyVBCARZGUFTZTSL-UHFFFAOYSA-N
XLogP3.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane?
The IUPAC name of benzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane (CID 87444473) is benzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane.
What is the SMILES notation for benzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane?
The canonical SMILES for benzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane is CCO[Si](Cc1ccccc1)(OCC)OC(F)(F)C(F)(F)F.
What is the InChIKey of benzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane?
The InChIKey is VBCARZGUFTZTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5O3Si/c1-3-19-22(20-4-2,10-11-8-6-5-7-9-11)21-13(17,18)12(14,15)16/h5-9H,3-4,10H2,1-2H3.
What are the key properties of benzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane?
benzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane has a molecular weight of 344.35 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane is sourced from PubChem (CID 87444473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).