trimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane

C12H15F5Si — CID 102047486

IUPACtrimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESC[Si](C)(C)CCCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H15F5Si/c1-18(2,3)6-4-5-7-8(13)10(15)12(17)11(16)9(7)14/h4-6H2,1-3H3
InChIKeyPZILTAXHEIQWGW-UHFFFAOYSA-N
MW282.33 g/mol
LogP4.65
Rot. Bonds4

About trimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane

trimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (PubChem CID 102047486) has the molecular formula C12H15F5Si and a molecular weight of 282.33 g/mol. Its IUPAC name is trimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
PubChem CID102047486
Molecular FormulaC12H15F5Si
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Nametrimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESC[Si](C)(C)CCCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H15F5Si/c1-18(2,3)6-4-5-7-8(13)10(15)12(17)11(16)9(7)14/h4-6H2,1-3H3
InChIKeyPZILTAXHEIQWGW-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 54.65
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 trimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The IUPAC name of trimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (CID 102047486) is trimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.
What is the SMILES notation for trimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The canonical SMILES for trimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is C[Si](C)(C)CCCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of trimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The InChIKey is PZILTAXHEIQWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5Si/c1-18(2,3)6-4-5-7-8(13)10(15)12(17)11(16)9(7)14/h4-6H2,1-3H3.
What are the key properties of trimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
trimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane has a molecular weight of 282.33 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is sourced from PubChem (CID 102047486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).