methyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane

C21H10F10Si — CID 5227669

IUPACmethyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane
SMILESC[Si](C=Cc1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C21H10F10Si/c1-32(8-7-9-5-3-2-4-6-9,20-16(28)12(24)10(22)13(25)17(20)29)21-18(30)14(26)11(23)15(27)19(21)31/h2-8H,1H3
InChIKeyLSEKWRXKEDQDOH-UHFFFAOYSA-N
MW480.38 g/mol
LogP5.52
Rot. Bonds4

About methyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane

methyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane (PubChem CID 5227669) has the molecular formula C21H10F10Si and a molecular weight of 480.38 g/mol. Its IUPAC name is methyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane.

Molecular Properties

Compound Namemethyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane
PubChem CID5227669
Molecular FormulaC21H10F10Si
Molecular Weight480.38 g/mol
Exact Mass480.04
IUPAC Namemethyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane
SMILESC[Si](C=Cc1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C21H10F10Si/c1-32(8-7-9-5-3-2-4-6-9,20-16(28)12(24)10(22)13(25)17(20)29)21-18(30)14(26)11(23)15(27)19(21)31/h2-8H,1H3
InChIKeyLSEKWRXKEDQDOH-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.38
LogP ≤ 55.52
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 methyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane?
The IUPAC name of methyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane (CID 5227669) is methyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane.
What is the SMILES notation for methyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane?
The canonical SMILES for methyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane is C[Si](C=Cc1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of methyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane?
The InChIKey is LSEKWRXKEDQDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10F10Si/c1-32(8-7-9-5-3-2-4-6-9,20-16(28)12(24)10(22)13(25)17(20)29)21-18(30)14(26)11(23)15(27)19(21)31/h2-8H,1H3.
What are the key properties of methyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane?
methyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane has a molecular weight of 480.38 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(2,3,4,5,6-pentafluorophenyl)-(2-phenylethenyl)silane is sourced from PubChem (CID 5227669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).