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

C17H12F10Si — CID 4082103

IUPACdimethyl-(2,3,4,5,6-pentafluorophenyl)-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESC[Si](C)(CCCc1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H12F10Si/c1-28(2,17-15(26)13(24)12(23)14(25)16(17)27)5-3-4-6-7(18)9(20)11(22)10(21)8(6)19/h3-5H2,1-2H3
InChIKeyTWGUTXODLIYIKU-UHFFFAOYSA-N
MW434.35 g/mol
LogP5.63
Rot. Bonds5

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

dimethyl-(2,3,4,5,6-pentafluorophenyl)-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (PubChem CID 4082103) has the molecular formula C17H12F10Si and a molecular weight of 434.35 g/mol. Its IUPAC name is dimethyl-(2,3,4,5,6-pentafluorophenyl)-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
PubChem CID4082103
Molecular FormulaC17H12F10Si
Molecular Weight434.35 g/mol
Exact Mass434.05
IUPAC Namedimethyl-(2,3,4,5,6-pentafluorophenyl)-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane
SMILESC[Si](C)(CCCc1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H12F10Si/c1-28(2,17-15(26)13(24)12(23)14(25)16(17)27)5-3-4-6-7(18)9(20)11(22)10(21)8(6)19/h3-5H2,1-2H3
InChIKeyTWGUTXODLIYIKU-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.35
LogP ≤ 55.63
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 dimethyl-(2,3,4,5,6-pentafluorophenyl)-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenyl)-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane (CID 4082103) is dimethyl-(2,3,4,5,6-pentafluorophenyl)-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentafluorophenyl)-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentafluorophenyl)-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is C[Si](C)(CCCc1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentafluorophenyl)-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
The InChIKey is TWGUTXODLIYIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F10Si/c1-28(2,17-15(26)13(24)12(23)14(25)16(17)27)5-3-4-6-7(18)9(20)11(22)10(21)8(6)19/h3-5H2,1-2H3.
What are the key properties of dimethyl-(2,3,4,5,6-pentafluorophenyl)-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane?
dimethyl-(2,3,4,5,6-pentafluorophenyl)-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane has a molecular weight of 434.35 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2,3,4,5,6-pentafluorophenyl)-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane is sourced from PubChem (CID 4082103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).