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

C15H9F9Si — CID 102286594

IUPACtrimethyl-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane
SMILESC[Si](C)(C)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C15H9F9Si/c1-25(2,3)15-13(23)8(18)5(9(19)14(15)24)4-6(16)10(20)12(22)11(21)7(4)17/h1-3H3
InChIKeyPLQSIAZYGVQAPT-UHFFFAOYSA-N
MW388.31 g/mol
LogP5.15
Rot. Bonds2

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

trimethyl-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane (PubChem CID 102286594) has the molecular formula C15H9F9Si and a molecular weight of 388.31 g/mol. Its IUPAC name is trimethyl-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane
PubChem CID102286594
Molecular FormulaC15H9F9Si
Molecular Weight388.31 g/mol
Exact Mass388.03
IUPAC Nametrimethyl-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane
SMILESC[Si](C)(C)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C15H9F9Si/c1-25(2,3)15-13(23)8(18)5(9(19)14(15)24)4-6(16)10(20)12(22)11(21)7(4)17/h1-3H3
InChIKeyPLQSIAZYGVQAPT-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.31
LogP ≤ 55.15
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-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane?
The IUPAC name of trimethyl-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane (CID 102286594) is trimethyl-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane.
What is the SMILES notation for trimethyl-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane?
The canonical SMILES for trimethyl-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane is C[Si](C)(C)c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of trimethyl-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane?
The InChIKey is PLQSIAZYGVQAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F9Si/c1-25(2,3)15-13(23)8(18)5(9(19)14(15)24)4-6(16)10(20)12(22)11(21)7(4)17/h1-3H3.
What are the key properties of trimethyl-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane?
trimethyl-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane has a molecular weight of 388.31 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenyl]silane is sourced from PubChem (CID 102286594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).