trimethyl-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane

C25H39F5O2SSi3 — CID 102130595

IUPACtrimethyl-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane
SMILESC[Si](C)(C)CCCOc1c(-c2c(F)c(F)c(F)c(F)c2F)sc([Si](C)(C)C)c1OCCC[Si](C)(C)C
InChIInChI=1S/C25H39F5O2SSi3/c1-34(2,3)14-10-12-31-22-23(32-13-11-15-35(4,5)6)25(36(7,8)9)33-24(22)16-17(26)19(28)21(30)20(29)18(16)27/h10-15H2,1-9H3
InChIKeyWNCIHQDODNODPC-UHFFFAOYSA-N
MW582.90 g/mol
LogP8.87
Rot. Bonds12

About trimethyl-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane

trimethyl-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane (PubChem CID 102130595) has the molecular formula C25H39F5O2SSi3 and a molecular weight of 582.90 g/mol. Its IUPAC name is trimethyl-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane
PubChem CID102130595
Molecular FormulaC25H39F5O2SSi3
Molecular Weight582.90 g/mol
Exact Mass582.19
IUPAC Nametrimethyl-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane
SMILESC[Si](C)(C)CCCOc1c(-c2c(F)c(F)c(F)c(F)c2F)sc([Si](C)(C)C)c1OCCC[Si](C)(C)C
InChIInChI=1S/C25H39F5O2SSi3/c1-34(2,3)14-10-12-31-22-23(32-13-11-15-35(4,5)6)25(36(7,8)9)33-24(22)16-17(26)19(28)21(30)20(29)18(16)27/h10-15H2,1-9H3
InChIKeyWNCIHQDODNODPC-UHFFFAOYSA-N
XLogP8.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.90
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane?
The IUPAC name of trimethyl-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane (CID 102130595) is trimethyl-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane.
What is the SMILES notation for trimethyl-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane?
The canonical SMILES for trimethyl-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane is C[Si](C)(C)CCCOc1c(-c2c(F)c(F)c(F)c(F)c2F)sc([Si](C)(C)C)c1OCCC[Si](C)(C)C.
What is the InChIKey of trimethyl-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane?
The InChIKey is WNCIHQDODNODPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39F5O2SSi3/c1-34(2,3)14-10-12-31-22-23(32-13-11-15-35(4,5)6)25(36(7,8)9)33-24(22)16-17(26)19(28)21(30)20(29)18(16)27/h10-15H2,1-9H3.
What are the key properties of trimethyl-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane?
trimethyl-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane has a molecular weight of 582.90 g/mol, XLogP of 8.87, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[5-(2,3,4,5,6-pentafluorophenyl)-3,4-bis(3-trimethylsilylpropoxy)thiophen-2-yl]silane is sourced from PubChem (CID 102130595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).