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3-(2-Chloro-4-fluorophenoxy)-1-(diphenylmethyl)azetidine

HCID 15042226
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Fc1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)c(Cl)c1
InChIKey
CTNSWPSBXQDBQN-UHFFFAOYSA-N
Molecular formula
C22H19ClFNO
Average molar mass
367.8 g/mol

Names & identifiers

Preferred name
3-(2-Chloro-4-fluorophenoxy)-1-(diphenylmethyl)azetidine
IUPAC
1-benzhydryl-3-(2-chloro-4-fluorophenoxy)azetidine

Names & synonyms

SCHEMBL4129984CTNSWPSBXQDBQN-UHFFFAOYSA-N141483-09-2DS-0214173-(2-Chloro-4-fluorophenoxy)-1-(diphenylmethyl)azetidine

Database identifiers

PubChem CID
15042226

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Formal charge
0
Complexity
414

Related reactions

7 records
New reaction record
HRID 222344 reaction equation
HRID 222344As productuspto-grants-2012_06
HRID 225827 reaction equation
HRID 225827As productuspto-grants-2009_07
HRID 570811 reaction equation
HRID 570811As productuspto-grants-2015_05
HRID 941743 reaction equation
HRID 941743As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1053874 reaction equation
HRID 1053874As productuspto-grants-2016_07
HRID 2162562 reaction equation
HRID 2162562As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2371728 reaction equation
HRID 2371728As reactantuspto-grants-1992_03

Compound notes

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