HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

3-(4-(4-Fluorophenoxy)phenyl)acrylonitrile

HCID 67775820
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CC=Cc1ccc(Oc2ccc(F)cc2)cc1
InChIKey
XFEGOFSRBRUKBQ-UHFFFAOYSA-N
Molecular formula
C15H10FNO
Average molar mass
239.24 g/mol

Names & identifiers

Preferred name
3-(4-(4-Fluorophenoxy)phenyl)acrylonitrile
IUPAC
3-[4-(4-fluorophenoxy)phenyl]prop-2-enenitrile

Names & synonyms

SCHEMBL9107907XFEGOFSRBRUKBQ-UHFFFAOYSA-N3-(4-(4-fluorophenoxy)phenyl)acrylonitrile3-(4-(4-fluorophenoxyl)phenyl)acrylonitrile

Database identifiers

PubChem CID
67775820

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
33 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
317

Related reactions

4 records
New reaction record
HRID 474597 reaction equation
HRID 474597As productuspto-grants-2014_01
HRID 474598 reaction equation
HRID 474598As reactantuspto-grants-2014_01
HRID 705839 reaction equation
HRID 705839As productuspto-grants-2015_11
HRID 705840 reaction equation
HRID 705840As reactantuspto-grants-2015_11

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes