4-(3-Isopropyl-1H-indol-5-yloxy)-3,5-bis-trifluoromethyl-phenylacetonitrile

HCID 22669693
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)c1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(CC#N)cc3C(F)(F)F)cc12
InChIKey
PALZHCNPDHEGOC-UHFFFAOYSA-N
Molecular formula
C21H16F6N2O
Average molar mass
426.4 g/mol
Monoisotopic mass
426.11668211

Names & identifiers

Preferred name
4-(3-Isopropyl-1H-indol-5-yloxy)-3,5-bis-trifluoromethyl-phenylacetonitrile
IUPAC
2-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]acetonitrile

Names & synonyms

4-(3-Isopropyl-1H-indol-5-yloxy)-3,5-bis-trifluoromethyl-phenylacetonitrileSCHEMBL6512885

Database identifiers

PubChem CID
22669693

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
48.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
30

Related reactions

5 records
New reaction record

Compound notes

Loading…