(E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine

C20H18F10N2Si2 — CID 15416334

IUPAC(E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine
SMILESC[Si](C)(C)/N=C(C(=N/[Si](C)(C)C)/c1c(F)c(F)c(F)c(F)c1F)\c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H18F10N2Si2/c1-33(2,3)31-19(7-9(21)13(25)17(29)14(26)10(7)22)20(32-34(4,5)6)8-11(23)15(27)18(30)16(28)12(8)24/h1-6H3/b31-19+,32-20+
InChIKeyUGUXDZDTZWCUOL-GKTLAHRSSA-N
MW532.53 g/mol
LogP7.03
Rot. Bonds5

About (E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine

(E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine (PubChem CID 15416334) has the molecular formula C20H18F10N2Si2 and a molecular weight of 532.53 g/mol. Its IUPAC name is (E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine.

Molecular Properties

Compound Name(E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine
PubChem CID15416334
Molecular FormulaC20H18F10N2Si2
Molecular Weight532.53 g/mol
Exact Mass532.08
IUPAC Name(E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine
SMILESC[Si](C)(C)/N=C(C(=N/[Si](C)(C)C)/c1c(F)c(F)c(F)c(F)c1F)\c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H18F10N2Si2/c1-33(2,3)31-19(7-9(21)13(25)17(29)14(26)10(7)22)20(32-34(4,5)6)8-11(23)15(27)18(30)16(28)12(8)24/h1-6H3/b31-19+,32-20+
InChIKeyUGUXDZDTZWCUOL-GKTLAHRSSA-N
XLogP7.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.53
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine?
The IUPAC name of (E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine (CID 15416334) is (E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine.
What is the SMILES notation for (E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine?
The canonical SMILES for (E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine is C[Si](C)(C)/N=C(C(=N/[Si](C)(C)C)/c1c(F)c(F)c(F)c(F)c1F)\c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine?
The InChIKey is UGUXDZDTZWCUOL-GKTLAHRSSA-N. The full InChI is InChI=1S/C20H18F10N2Si2/c1-33(2,3)31-19(7-9(21)13(25)17(29)14(26)10(7)22)20(32-34(4,5)6)8-11(23)15(27)18(30)16(28)12(8)24/h1-6H3/b31-19+,32-20+.
What are the key properties of (E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine?
(E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine has a molecular weight of 532.53 g/mol, XLogP of 7.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-bis(2,3,4,5,6-pentafluorophenyl)-N,N'-bis(trimethylsilyl)ethane-1,2-diimine is sourced from PubChem (CID 15416334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).