3-(3,4-Difluoro-phenylethynyl)-phenylamine

HCID 19821078
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Basic information

Standard SMILES
Nc1cccc(C#Cc2ccc(F)c(F)c2)c1
InChIKey
CVTDTERNGGBVLT-UHFFFAOYSA-N
Molecular formula
C14H9F2N
Average molar mass
229.22 g/mol
Monoisotopic mass
229.07030562

Names & identifiers

Preferred name
3-(3,4-Difluoro-phenylethynyl)-phenylamine
IUPAC
3-[2-(3,4-difluorophenyl)ethynyl]aniline

Names & synonyms

142678-68-03-(3,4-difluoro-phenylethynyl)-phenylamine3-[2-(3,4-difluorophenyl)ethynyl]anilineMFCD125213123-((3,4-Difluorophenyl)ethynyl)aniline3-[(3,4-Difluorophenyl)ethynyl]anilineSCHEMBL9679775CVTDTERNGGBVLT-UHFFFAOYSA-NAKOS0060286193-(3,4-Difluoro-phenylethynyl)-phenylamine, 97%

Database identifiers

PubChem CID
19821078

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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3-(3,4-Difluoro-phenylethynyl)-phenylamine (HCID 19821078)｜Huagongshe