HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

1-(Diphenylmethyl)-3-[2-fluoro-5-(trifluoromethyl)phenoxy]azetidine

HCID 19906227
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1ccc(C(F)(F)F)cc1OC1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey
NGPKQFCPBMJMFR-UHFFFAOYSA-N
Molecular formula
C23H19F4NO
Average molar mass
401.4 g/mol

Names & identifiers

Preferred name
1-(Diphenylmethyl)-3-[2-fluoro-5-(trifluoromethyl)phenoxy]azetidine
IUPAC
1-benzhydryl-3-[2-fluoro-5-(trifluoromethyl)phenoxy]azetidine

Names & synonyms

1-(Diphenylmethyl)-3-[2-fluoro-5-(trifluoromethyl)phenoxy]azetidineSCHEMBL9450807

Database identifiers

PubChem CID
19906227

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Formal charge
0
Complexity
491

Related reactions

4 records
New reaction record
HRID 303370 reaction equation
HRID 303370As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 310784 reaction equation
HRID 310784As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 2371726 reaction equation
HRID 2371726As productuspto-grants-1992_03
HRID 2371727 reaction equation
HRID 2371727As reactantuspto-grants-1992_03

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes