2-Fluoro-6-[(3-methoxyphenyl)thio]benzonitrile

HCID 10706406
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cccc(Sc2cccc(F)c2C#N)c1
InChIKey
DHDWUOHFLGWVNS-UHFFFAOYSA-N
Molecular formula
C14H10FNOS
Average molar mass
259.3 g/mol

Names & identifiers

Preferred name
2-Fluoro-6-[(3-methoxyphenyl)thio]benzonitrile
IUPAC
2-fluoro-6-(3-methoxyphenyl)sulfanylbenzonitrile

Names & synonyms

SCHEMBL8410613DHDWUOHFLGWVNS-UHFFFAOYSA-NAKOS0173227402-Fluoro-6-[(3 -methoxyphenyl)thio]benzonitrile

Database identifiers

PubChem CID
10706406

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
58.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18

Related reactions

4 records
New reaction record

Linked notes

Loading…