tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane

C31H16F15NSi — CID 177445819

IUPACtris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane
SMILESFc1c(F)c(F)c([Si](/C=C(/c2ccccc2)N2CCCCC2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C31H16F15NSi/c32-14-17(35)23(41)29(24(42)18(14)36)48(30-25(43)19(37)15(33)20(38)26(30)44,31-27(45)21(39)16(34)22(40)28(31)46)11-13(12-7-3-1-4-8-12)47-9-5-2-6-10-47/h1,3-4,7-8,11H,2,5-6,9-10H2/b13-11-
InChIKeyWGPWOMHZWHSCOH-QBFSEMIESA-N
MW715.53 g/mol
LogP7.31
Rot. Bonds6

About tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane

tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane (PubChem CID 177445819) has the molecular formula C31H16F15NSi and a molecular weight of 715.53 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane
PubChem CID177445819
Molecular FormulaC31H16F15NSi
Molecular Weight715.53 g/mol
Exact Mass715.08
IUPAC Nametris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane
SMILESFc1c(F)c(F)c([Si](/C=C(/c2ccccc2)N2CCCCC2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C31H16F15NSi/c32-14-17(35)23(41)29(24(42)18(14)36)48(30-25(43)19(37)15(33)20(38)26(30)44,31-27(45)21(39)16(34)22(40)28(31)46)11-13(12-7-3-1-4-8-12)47-9-5-2-6-10-47/h1,3-4,7-8,11H,2,5-6,9-10H2/b13-11-
InChIKeyWGPWOMHZWHSCOH-QBFSEMIESA-N
XLogP7.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.53
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane?
The IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane (CID 177445819) is tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane.
What is the SMILES notation for tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane?
The canonical SMILES for tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane is Fc1c(F)c(F)c([Si](/C=C(/c2ccccc2)N2CCCCC2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane?
The InChIKey is WGPWOMHZWHSCOH-QBFSEMIESA-N. The full InChI is InChI=1S/C31H16F15NSi/c32-14-17(35)23(41)29(24(42)18(14)36)48(30-25(43)19(37)15(33)20(38)26(30)44,31-27(45)21(39)16(34)22(40)28(31)46)11-13(12-7-3-1-4-8-12)47-9-5-2-6-10-47/h1,3-4,7-8,11H,2,5-6,9-10H2/b13-11-.
What are the key properties of tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane?
tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane has a molecular weight of 715.53 g/mol, XLogP of 7.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5,6-pentafluorophenyl)-[(Z)-2-phenyl-2-piperidin-1-ylethenyl]silane is sourced from PubChem (CID 177445819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).