4-((2-(Trifluoromethoxy)phenyl)thio)benzonitrile

HCID 70979110
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Basic information

Standard SMILES
N#Cc1ccc(Sc2ccccc2OC(F)(F)F)cc1
InChIKey
IGOVKLFWEUIAOB-UHFFFAOYSA-N
Molecular formula
C14H8F3NOS
Average molar mass
295.28 g/mol

Names & identifiers

Preferred name
4-((2-(Trifluoromethoxy)phenyl)thio)benzonitrile
IUPAC
4-[2-(trifluoromethoxy)phenyl]sulfanylbenzonitrile

Names & synonyms

4-((2-(trifluoromethoxy)phenyl)thio)benzonitrileSCHEMBL13729942

Database identifiers

PubChem CID
70979110

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
58.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
20

Related reactions

1 records
New reaction record

Compound notes

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