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4-[3-(3,5-Difluorophenyl)prop-2-ynylidene]piperidine

HCID 86627342
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1cc(F)cc(C#CC=C2CCNCC2)c1
InChIKey
JALNHWOYJGUOTO-UHFFFAOYSA-N
Molecular formula
C14H13F2N
Average molar mass
233.26 g/mol

Names & identifiers

Preferred name
4-[3-(3,5-Difluorophenyl)prop-2-ynylidene]piperidine
IUPAC
4-[3-(3,5-difluorophenyl)prop-2-ynylidene]piperidine

Names & synonyms

SCHEMBL4253766JALNHWOYJGUOTO-UHFFFAOYSA-N4-[3-(3,5-Difluorophenyl)prop-2-ynylidene]piperidine

Database identifiers

PubChem CID
86627342

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
332

Related reactions

5 records
New reaction record
HRID 827961 reaction equation
HRID 827961As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1127245 reaction equation
HRID 1127245As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1895983 reaction equation
HRID 1895983As productuspto-grants-2013_08
HRID 1895984 reaction equation
HRID 1895984As reactantuspto-grants-2013_08
HRID 1896030 reaction equation
HRID 1896030As reactantuspto-grants-2013_08

Compound notes

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