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(2,2,3,3-Tetramethyl-cyclopropyl)-(6-trifluoromethyl-1H-indol-3-yl)methanone

HCID 24824344
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(C)C(C(=O)c2c[nH]c3cc(C(F)(F)F)ccc23)C1(C)C
InChIKey
DWAYSKNAHWZDOW-UHFFFAOYSA-N
Molecular formula
C17H18F3NO
Average molar mass
309.33 g/mol

Names & identifiers

Preferred name
(2,2,3,3-Tetramethyl-cyclopropyl)-(6-trifluoromethyl-1H-indol-3-yl)methanone
IUPAC
(2,2,3,3-tetramethylcyclopropyl)-[6-(trifluoromethyl)-1H-indol-3-yl]methanone

Names & synonyms

(2,2,3,3-Tetramethyl-cyclopropyl)-(6-trifluoromethyl-1H-indol-3-yl)methanoneSCHEMBL2078031

Database identifiers

PubChem CID
24824344

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
32.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Formal charge
0
Complexity
469

Related reactions

4 records
New reaction record
HRID 227427 reaction equation
HRID 227427As productuspto-grants-2009_07
HRID 1546843 reaction equation
HRID 1546843As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2128376 reaction equation
HRID 2128376As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2353529 reaction equation
HRID 2353529As productuspto-grants-2010_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes