4-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-4-phenylazepane

HCID 11626160
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Basic information

Standard SMILES
FC(F)(F)c1cc(COCC2(c3ccccc3)CCCNCC2)cc(C(F)(F)F)c1
InChIKey
QLXHEEVESGWCHN-UHFFFAOYSA-N
Molecular formula
C22H23F6NO
Average molar mass
431.4 g/mol

Names & identifiers

Preferred name
4-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-4-phenylazepane
IUPAC
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepane

Names & synonyms

4-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-4-phenylazepaneSCHEMBL5794588

Database identifiers

PubChem CID
11626160

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
21.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
30

Related reactions

11 records
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Compound notes

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