benzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane

C17H17F5Si — CID 156634604

IUPACbenzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane
SMILESC[Si](C)(CCc1c(F)c(F)c(F)c(F)c1F)Cc1ccccc1
InChIInChI=1S/C17H17F5Si/c1-23(2,10-11-6-4-3-5-7-11)9-8-12-13(18)15(20)17(22)16(21)14(12)19/h3-7H,8-10H2,1-2H3
InChIKeyVTNQVPJEACBUCP-UHFFFAOYSA-N
MW344.40 g/mol
LogP5.41
Rot. Bonds5

About benzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane

benzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane (PubChem CID 156634604) has the molecular formula C17H17F5Si and a molecular weight of 344.40 g/mol. Its IUPAC name is benzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane.

Molecular Properties

Compound Namebenzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane
PubChem CID156634604
Molecular FormulaC17H17F5Si
Molecular Weight344.40 g/mol
Exact Mass344.10
IUPAC Namebenzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane
SMILESC[Si](C)(CCc1c(F)c(F)c(F)c(F)c1F)Cc1ccccc1
InChIInChI=1S/C17H17F5Si/c1-23(2,10-11-6-4-3-5-7-11)9-8-12-13(18)15(20)17(22)16(21)14(12)19/h3-7H,8-10H2,1-2H3
InChIKeyVTNQVPJEACBUCP-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.40
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane?
The IUPAC name of benzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane (CID 156634604) is benzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane.
What is the SMILES notation for benzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane?
The canonical SMILES for benzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane is C[Si](C)(CCc1c(F)c(F)c(F)c(F)c1F)Cc1ccccc1.
What is the InChIKey of benzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane?
The InChIKey is VTNQVPJEACBUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F5Si/c1-23(2,10-11-6-4-3-5-7-11)9-8-12-13(18)15(20)17(22)16(21)14(12)19/h3-7H,8-10H2,1-2H3.
What are the key properties of benzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane?
benzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane has a molecular weight of 344.40 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane is sourced from PubChem (CID 156634604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).