5-Sec-butyl-1-trifluoroacetylindole

HCID 19600950
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Basic information

Standard SMILES
CCC(C)c1ccc2c(ccn2C(=O)C(F)(F)F)c1
InChIKey
IRMYXANGAOTDGG-UHFFFAOYSA-N
Molecular formula
C14H14F3NO
Average molar mass
269.26 g/mol
Monoisotopic mass
269.10274856

Names & identifiers

Preferred name
5-Sec-butyl-1-trifluoroacetylindole
IUPAC
1-(5-butan-2-ylindol-1-yl)-2,2,2-trifluoroethanone

Names & synonyms

5-Sec-butyl-1-trifluoroacetylindoleSCHEMBL8506915

Database identifiers

PubChem CID
19600950

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
22 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
19

Related reactions

2 records
New reaction record

Linked notes

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5-Sec-butyl-1-trifluoroacetylindole (HCID 19600950)｜Huagongshe