5,5,6,6,6-Pentafluoro-2-propan-2-yl-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile

HCID 57788436
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Basic information

Standard SMILES
CC(C)C(C#N)(CCC(F)(F)C(F)(F)F)S(=O)(=O)CCC(F)(F)F
InChIKey
YDFRNCUJBXLWIW-UHFFFAOYSA-N
Molecular formula
C12H15F8NO2S
Average molar mass
389.31 g/mol

Names & identifiers

Preferred name
5,5,6,6,6-Pentafluoro-2-propan-2-yl-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile
IUPAC
5,5,6,6,6-pentafluoro-2-propan-2-yl-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile

Names & synonyms

SCHEMBL2427860YDFRNCUJBXLWIW-UHFFFAOYSA-N5,5,6,6,6-pentafluoro-2-propan-2-yl-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile

Database identifiers

PubChem CID
57788436

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
66.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
7
Heavy atoms
24

Related reactions

1 records
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Compound notes

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