5,5,6,6,6-Pentafluoro-2-(3,3,4,4,5,5,5-heptafluoropentylsulfonyl)hexanenitrile

HCID 57788348
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Basic information

Standard SMILES
N#CC(CCC(F)(F)C(F)(F)F)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)F
InChIKey
XHNXAMGEDTYXCB-UHFFFAOYSA-N
Molecular formula
C11H9F12NO2S
Average molar mass
447.24 g/mol

Names & identifiers

Preferred name
5,5,6,6,6-Pentafluoro-2-(3,3,4,4,5,5,5-heptafluoropentylsulfonyl)hexanenitrile
IUPAC
5,5,6,6,6-pentafluoro-2-(3,3,4,4,5,5,5-heptafluoropentylsulfonyl)hexanenitrile

Names & synonyms

SCHEMBL2428499XHNXAMGEDTYXCB-UHFFFAOYSA-N5,5,6,6,6-pentafluoro-2-(3,3,4,4,5,5,5-heptafluoropentylsulfonyl)hexanenitrile

Database identifiers

PubChem CID
57788348

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
66.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
15
Rotatable bonds
8
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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