4-(3,5-Bis-trifluoromethyl-benzyl)-2-methylnitrobenzene

HCID 59229504
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-]
InChIKey
NCEWZJVUBFKMBM-UHFFFAOYSA-N
Molecular formula
C16H11F6NO2
Average molar mass
363.25 g/mol
Monoisotopic mass
363.06939757

Names & identifiers

Preferred name
4-(3,5-Bis-trifluoromethyl-benzyl)-2-methylnitrobenzene
IUPAC
4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-1-nitrobenzene

Names & synonyms

4-(3,5-bis-trifluoromethyl-benzyl)-2-methylnitrobenzeneSCHEMBL5508234-(3,5-bis-trifluoromethyl-benzyl)-2-methyl-nitrobenzene

Database identifiers

PubChem CID
59229504

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
25

Related reactions

6 records
New reaction record

Compound notes

Loading…