2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane

C21H24F3NO2Si — CID 175349192

IUPAC2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2cc(-c3c(F)cccc3OC(F)F)ccc21
InChIInChI=1S/C21H24F3NO2Si/c1-28(2,3)12-11-26-14-25-10-9-15-13-16(7-8-18(15)25)20-17(22)5-4-6-19(20)27-21(23)24/h4-10,13,21H,11-12,14H2,1-3H3
InChIKeyOAKWKRKTMLQCFU-UHFFFAOYSA-N
MW407.51 g/mol
LogP6.36
Rot. Bonds8

About 2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 175349192) has the molecular formula C21H24F3NO2Si and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID175349192
Molecular FormulaC21H24F3NO2Si
Molecular Weight407.51 g/mol
Exact Mass407.15
IUPAC Name2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2cc(-c3c(F)cccc3OC(F)F)ccc21
InChIInChI=1S/C21H24F3NO2Si/c1-28(2,3)12-11-26-14-25-10-9-15-13-16(7-8-18(15)25)20-17(22)5-4-6-19(20)27-21(23)24/h4-10,13,21H,11-12,14H2,1-3H3
InChIKeyOAKWKRKTMLQCFU-UHFFFAOYSA-N
XLogP6.36
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(3-methoxypropyl)indol-1-yl]methoxy]ethyl-trimethylsilane
CID 174503664
[6-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-5-yl]methanamine
CID 86762617
5-[4-(difluoromethoxy)phenyl]-1-(2-ethylbutyl)indole
CID 174559186
2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175192974
2-[[3-(2-chloro-6-fluorophenyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane
CID 175454411
3-chloro-2-propoxy-3-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]propanoic acid
CID 22485693
2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150079028
2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810700
trimethyl-[2-(pyrrolo[2,3-d]pyrimidin-7-ylmethoxy)ethyl]silane
CID 58172492
2-[(4-bromo-6-chloroindol-1-yl)methoxy]ethyl-trimethylsilane
CID 140807311
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
trimethyl-[2-[[7-(2-trimethylsilylethoxymethoxy)benzimidazol-1-yl]methoxy]ethyl]silane
CID 67293077

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane (CID 175349192) is 2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2cc(-c3c(F)cccc3OC(F)F)ccc21.
What is the InChIKey of 2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is OAKWKRKTMLQCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO2Si/c1-28(2,3)12-11-26-14-25-10-9-15-13-16(7-8-18(15)25)20-17(22)5-4-6-19(20)27-21(23)24/h4-10,13,21H,11-12,14H2,1-3H3.
What are the key properties of 2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 407.51 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 175349192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).