6,6,6-Trifluoro-2-methyl-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile

HCID 57788345
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Basic information

Standard SMILES
CC(C#N)(CCCC(F)(F)F)S(=O)(=O)CCC(F)(F)F
InChIKey
XQOZPECJBUBJKI-UHFFFAOYSA-N
Molecular formula
C10H13F6NO2S
Average molar mass
325.27 g/mol

Names & identifiers

Preferred name
6,6,6-Trifluoro-2-methyl-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile
IUPAC
6,6,6-trifluoro-2-methyl-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile

Names & synonyms

SCHEMBL2431421XQOZPECJBUBJKI-UHFFFAOYSA-N6,6,6-trifluoro-2-methyl-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile

Database identifiers

PubChem CID
57788345

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
66.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
20

Related reactions

1 records
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Compound notes

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