6-(Methyloxy)-3-(3,3,3-trifluoropropyl)-3,4-dihydro-1(2H)-naphthalenone

HCID 68536263
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc2c(c1)CC(CCC(F)(F)F)CC2=O
InChIKey
VOPXWGIKEZOXDU-UHFFFAOYSA-N
Molecular formula
C14H15F3O2
Average molar mass
272.26 g/mol

Names & identifiers

Preferred name
6-(Methyloxy)-3-(3,3,3-trifluoropropyl)-3,4-dihydro-1(2H)-naphthalenone
IUPAC
6-methoxy-3-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-naphthalen-1-one

Names & synonyms

6-(Methyloxy)-3-(3,3,3-trifluoropropyl)-3,4-dihydro-1(2H)-naphthalenoneSCHEMBL3168546

Database identifiers

PubChem CID
68536263

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
19

Related reactions

3 records
New reaction record

Compound notes

Loading…