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1-Benzhydryl-2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine

HCID 19875813
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1C(Oc2cccc(C(F)(F)F)c2)CN1C(c1ccccc1)c1ccccc1
InChIKey
MNDCRUOYLOPTOL-UHFFFAOYSA-N
Molecular formula
C24H22F3NO
Average molar mass
397.4 g/mol

Names & identifiers

Preferred name
1-Benzhydryl-2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine
IUPAC
1-benzhydryl-2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine

Names & synonyms

SCHEMBL9604306MNDCRUOYLOPTOL-UHFFFAOYSA-N1-benzhydryl-2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine

Database identifiers

PubChem CID
19875813

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Formal charge
0
Complexity
495

Related reactions

2 records
New reaction record
HRID 93069 reaction equation
HRID 93069As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1205778 reaction equation
HRID 1205778As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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