(5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane

C18H30F2N2SSi2 — CID 132934759

IUPAC(5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane
SMILESCC[Si](CC)(CC)c1c(F)c(F)c([Si](CC)(CC)CC)c2nsnc12
InChIInChI=1S/C18H30F2N2SSi2/c1-7-24(8-2,9-3)17-13(19)14(20)18(16-15(17)21-23-22-16)25(10-4,11-5)12-6/h7-12H2,1-6H3
InChIKeyROBCWPPKQRIOFS-UHFFFAOYSA-N
MW400.69 g/mol
LogP5.40
Rot. Bonds8

About (5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane

(5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane (PubChem CID 132934759) has the molecular formula C18H30F2N2SSi2 and a molecular weight of 400.69 g/mol. Its IUPAC name is (5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane.

Molecular Properties

Compound Name(5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane
PubChem CID132934759
Molecular FormulaC18H30F2N2SSi2
Molecular Weight400.69 g/mol
Exact Mass400.16
IUPAC Name(5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane
SMILESCC[Si](CC)(CC)c1c(F)c(F)c([Si](CC)(CC)CC)c2nsnc12
InChIInChI=1S/C18H30F2N2SSi2/c1-7-24(8-2,9-3)17-13(19)14(20)18(16-15(17)21-23-22-16)25(10-4,11-5)12-6/h7-12H2,1-6H3
InChIKeyROBCWPPKQRIOFS-UHFFFAOYSA-N
XLogP5.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.69
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,1,3-Benzothiadiazole, tetrafluoro-
CID 144722
[4-[Dimethyl(phenyl)silyl]-5,6-difluoro-2,1,3-benzothiadiazol-7-yl]-dimethyl-phenylsilane
CID 135034094
2-[5,6-Difluoro-4-(2-trimethylsilylethynyl)-2,1,3-benzothiadiazol-7-yl]ethynyl-trimethylsilane
CID 178339519
[7-(Dimethylsilylmethyl)-5,6-difluoro-2,1,3-benzothiadiazol-4-yl]-trimethylsilane
CID 123412233
(5-Chloro-6-fluoro-4-trimethylsilyl-2,1,3-benzothiadiazol-7-yl)-trimethylsilane
CID 142587575
(5,6-Difluoro-4-trimethylsilyl-2,1,3-benzoxadiazol-7-yl)-trimethylsilane
CID 145747966
6-[5,6-Difluoro-4,7-bis(trimethylsilyl)benzotriazol-2-yl]hexyl-methyl-bis(trimethylsilyloxy)silane
CID 163284789
(5,6-Difluoro-4-trimethylstannyl-2,1,3-benzothiadiazol-7-yl)-trimethylstannane
CID 177405108
CID 71242242
CID 71242242
Hydroxy-[4-[hydroxy(dimethyl)silyl]-2,1,3-benzothiadiazol-7-yl]-dimethylsilane
CID 102130593
CID 136672859
CID 136672859

Frequently Asked Questions

What is the IUPAC name of (5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane?
The IUPAC name of (5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane (CID 132934759) is (5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane.
What is the SMILES notation for (5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane?
The canonical SMILES for (5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane is CC[Si](CC)(CC)c1c(F)c(F)c([Si](CC)(CC)CC)c2nsnc12.
What is the InChIKey of (5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane?
The InChIKey is ROBCWPPKQRIOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F2N2SSi2/c1-7-24(8-2,9-3)17-13(19)14(20)18(16-15(17)21-23-22-16)25(10-4,11-5)12-6/h7-12H2,1-6H3.
What are the key properties of (5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane?
(5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane has a molecular weight of 400.69 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-difluoro-4-triethylsilyl-2,1,3-benzothiadiazol-7-yl)-triethylsilane is sourced from PubChem (CID 132934759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).