3-[[3-(Trifluoromethoxy)phenyl]ethynyl]aniline

HCID 19821081
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Basic information

Standard SMILES
Nc1cccc(C#Cc2cccc(OC(F)(F)F)c2)c1
InChIKey
ZLSVFHWLHCFJLH-UHFFFAOYSA-N
Molecular formula
C15H10F3NO
Average molar mass
277.24 g/mol

Names & identifiers

Preferred name
3-[[3-(Trifluoromethoxy)phenyl]ethynyl]aniline
IUPAC
3-[2-[3-(trifluoromethoxy)phenyl]ethynyl]aniline

Names & synonyms

3-[[3-(Trifluoromethoxy)phenyl]ethynyl]anilineSCHEMBL9679235AKOS012214351

Database identifiers

PubChem CID
19821081

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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