[5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane

C20H22F3NSi — CID 140728953

IUPAC[5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane
SMILESCCCn1c([Si](C)(C)C)cc2c(F)c(-c3cc(F)cc(F)c3)ccc21
InChIInChI=1S/C20H22F3NSi/c1-5-8-24-18-7-6-16(13-9-14(21)11-15(22)10-13)20(23)17(18)12-19(24)25(2,3)4/h6-7,9-12H,5,8H2,1-4H3
InChIKeyOTIQGNSGRNEPQX-UHFFFAOYSA-N
MW361.48 g/mol
LogP5.68
Rot. Bonds4

About [5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane

[5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane (PubChem CID 140728953) has the molecular formula C20H22F3NSi and a molecular weight of 361.48 g/mol. Its IUPAC name is [5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane
PubChem CID140728953
Molecular FormulaC20H22F3NSi
Molecular Weight361.48 g/mol
Exact Mass361.15
IUPAC Name[5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane
SMILESCCCn1c([Si](C)(C)C)cc2c(F)c(-c3cc(F)cc(F)c3)ccc21
InChIInChI=1S/C20H22F3NSi/c1-5-8-24-18-7-6-16(13-9-14(21)11-15(22)10-13)20(23)17(18)12-19(24)25(2,3)4/h6-7,9-12H,5,8H2,1-4H3
InChIKeyOTIQGNSGRNEPQX-UHFFFAOYSA-N
XLogP5.68
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.48
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane?
The IUPAC name of [5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane (CID 140728953) is [5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane.
What is the SMILES notation for [5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane?
The canonical SMILES for [5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane is CCCn1c([Si](C)(C)C)cc2c(F)c(-c3cc(F)cc(F)c3)ccc21.
What is the InChIKey of [5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane?
The InChIKey is OTIQGNSGRNEPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NSi/c1-5-8-24-18-7-6-16(13-9-14(21)11-15(22)10-13)20(23)17(18)12-19(24)25(2,3)4/h6-7,9-12H,5,8H2,1-4H3.
What are the key properties of [5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane?
[5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane has a molecular weight of 361.48 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-difluorophenyl)-4-fluoro-1-propylindol-2-yl]-trimethylsilane is sourced from PubChem (CID 140728953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).