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

HCID 57788441
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Basic information

Standard SMILES
N#CC(CCC(F)(F)C(F)(F)F)S(=O)(=O)CCC(F)(F)F
InChIKey
XTSOWVGVTNLCBR-UHFFFAOYSA-N
Molecular formula
C9H9F8NO2S
Average molar mass
347.23 g/mol
Monoisotopic mass
347.022625

Names & identifiers

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

Names & synonyms

SCHEMBL2428094XTSOWVGVTNLCBR-UHFFFAOYSA-N5,5,6,6,6-pentafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanenitrile

Database identifiers

PubChem CID
57788441

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
66.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
6
Heavy atoms
21

Related reactions

8 records
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Compound notes

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