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5-(3-Fluorophenoxy)thiophene-2-carbonitrile

HCID 23130613
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccc(Oc2cccc(F)c2)s1
InChIKey
MHLYRVZYNRASBD-UHFFFAOYSA-N
Molecular formula
C11H6FNOS
Average molar mass
219.24 g/mol

Names & identifiers

Preferred name
5-(3-Fluorophenoxy)thiophene-2-carbonitrile
IUPAC
5-(3-fluorophenoxy)thiophene-2-carbonitrile

Names & synonyms

5-(3-Fluorophenoxy)thiophene-2-carbonitrileSCHEMBL1680332MHLYRVZYNRASBD-UHFFFAOYSA-N

Database identifiers

PubChem CID
23130613

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
61.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
265

Related reactions

4 records
New reaction record
HRID 112756 reaction equation
HRID 112756As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1128328 reaction equation
HRID 1128328As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2080065 reaction equation
HRID 2080065As productuspto-grants-2011_04
HRID 2080066 reaction equation
HRID 2080066As reactantuspto-grants-2011_04

Compound notes

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