2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane

C16H22BrF3N2OSi — CID 68842797

IUPAC2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc2cc(C(F)(F)F)cc(CCBr)c2n1
InChIInChI=1S/C16H22BrF3N2OSi/c1-24(2,3)7-6-23-11-22-10-13-9-14(16(18,19)20)8-12(4-5-17)15(13)21-22/h8-10H,4-7,11H2,1-3H3
InChIKeyBGVPGWFZIWQXOA-UHFFFAOYSA-N
MW423.35 g/mol
LogP5.30
Rot. Bonds7

About 2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane

2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane (PubChem CID 68842797) has the molecular formula C16H22BrF3N2OSi and a molecular weight of 423.35 g/mol. Its IUPAC name is 2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
PubChem CID68842797
Molecular FormulaC16H22BrF3N2OSi
Molecular Weight423.35 g/mol
Exact Mass422.06
IUPAC Name2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc2cc(C(F)(F)F)cc(CCBr)c2n1
InChIInChI=1S/C16H22BrF3N2OSi/c1-24(2,3)7-6-23-11-22-10-13-9-14(16(18,19)20)8-12(4-5-17)15(13)21-22/h8-10H,4-7,11H2,1-3H3
InChIKeyBGVPGWFZIWQXOA-UHFFFAOYSA-N
XLogP5.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.35
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane (CID 68842797) is 2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc2cc(C(F)(F)F)cc(CCBr)c2n1.
What is the InChIKey of 2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BGVPGWFZIWQXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrF3N2OSi/c1-24(2,3)7-6-23-11-22-10-13-9-14(16(18,19)20)8-12(4-5-17)15(13)21-22/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane?
2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 423.35 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(2-bromoethyl)-5-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 68842797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).