2,5,5,6,6,6-Hexafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile

HCID 57788377
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Basic information

Standard SMILES
N#CC(F)(CCC(F)(F)C(F)(F)F)S(=O)(=O)CCC(F)(F)F
InChIKey
RBOGLWUKPLUVTD-UHFFFAOYSA-N
Molecular formula
C9H8F9NO2S
Average molar mass
365.22 g/mol
Monoisotopic mass
365.01320313

Names & identifiers

Preferred name
2,5,5,6,6,6-Hexafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile
IUPAC
2,5,5,6,6,6-hexafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile

Names & synonyms

SCHEMBL2433907RBOGLWUKPLUVTD-UHFFFAOYSA-N2,5,5,6,6,6-hexafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile

Database identifiers

PubChem CID
57788377

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
66.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
12
Rotatable bonds
6
Heavy atoms
22

Related reactions

1 records
New reaction record

Compound notes

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