3-[(2,3,4,5,6-Pentafluorophenyl)ethynyl]aniline

HCID 19821082
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Basic information

Standard SMILES
Nc1cccc(C#Cc2c(F)c(F)c(F)c(F)c2F)c1
InChIKey
CDJIHDHJMSMSJI-UHFFFAOYSA-N
Molecular formula
C14H6F5N
Average molar mass
283.2 g/mol
Monoisotopic mass
283.04204001

Names & identifiers

Preferred name
3-[(2,3,4,5,6-Pentafluorophenyl)ethynyl]aniline
IUPAC
3-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]aniline

Names & synonyms

SCHEMBL9681085CDJIHDHJMSMSJI-UHFFFAOYSA-N3-[(2,3,4,5,6-Pentafluorophenyl)ethynyl]aniline

Database identifiers

PubChem CID
19821082

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
20

Related reactions

2 records
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Compound notes

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