4-[1-(1,1,2,2,2-Pentafluoroethyl)-ethoxy]-benzonitrile

HCID 57656459
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Basic information

Standard SMILES
CC(Oc1ccc(C#N)cc1)C(F)(F)C(F)(F)F
InChIKey
DISIQGOXRFTHIB-UHFFFAOYSA-N
Molecular formula
C11H8F5NO
Average molar mass
265.18 g/mol

Names & identifiers

Preferred name
4-[1-(1,1,2,2,2-Pentafluoroethyl)-ethoxy]-benzonitrile
IUPAC
4-(3,3,4,4,4-pentafluorobutan-2-yloxy)benzonitrile

Names & synonyms

4-[1-(1,1,2,2,2-pentafluoroethyl)-ethoxy]-benzonitrileSCHEMBL507791(+/-)-4-[1-(1,1,2,2,2-Pentafluoroethyl)-ethoxy]-benzonitrile

Database identifiers

PubChem CID
57656459

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
33 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
18

Related reactions

6 records
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Compound notes

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