1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one

C20H30FNO2Si — CID 71284289

IUPAC1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one
SMILESCCCC(=O)c1ccc2c(c1)c(F)c(CO[Si](C)(C)C(C)(C)C)n2C
InChIInChI=1S/C20H30FNO2Si/c1-8-9-18(23)14-10-11-16-15(12-14)19(21)17(22(16)5)13-24-25(6,7)20(2,3)4/h10-12H,8-9,13H2,1-7H3
InChIKeyKXEYYWVZUKTYJC-UHFFFAOYSA-N
MW363.55 g/mol
LogP5.82
Rot. Bonds6

About 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one

1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one (PubChem CID 71284289) has the molecular formula C20H30FNO2Si and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one
PubChem CID71284289
Molecular FormulaC20H30FNO2Si
Molecular Weight363.55 g/mol
Exact Mass363.20
IUPAC Name1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one
SMILESCCCC(=O)c1ccc2c(c1)c(F)c(CO[Si](C)(C)C(C)(C)C)n2C
InChIInChI=1S/C20H30FNO2Si/c1-8-9-18(23)14-10-11-16-15(12-14)19(21)17(22(16)5)13-24-25(6,7)20(2,3)4/h10-12H,8-9,13H2,1-7H3
InChIKeyKXEYYWVZUKTYJC-UHFFFAOYSA-N
XLogP5.82
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one?
The IUPAC name of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one (CID 71284289) is 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one.
What is the SMILES notation for 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one?
The canonical SMILES for 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one is CCCC(=O)c1ccc2c(c1)c(F)c(CO[Si](C)(C)C(C)(C)C)n2C.
What is the InChIKey of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one?
The InChIKey is KXEYYWVZUKTYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO2Si/c1-8-9-18(23)14-10-11-16-15(12-14)19(21)17(22(16)5)13-24-25(6,7)20(2,3)4/h10-12H,8-9,13H2,1-7H3.
What are the key properties of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one?
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one has a molecular weight of 363.55 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-1-methylindol-5-yl]butan-1-one is sourced from PubChem (CID 71284289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).