Methyl 5,5,6,6,6-pentafluoro-2-propyl-2-(3,3,3-trifluoropropylsulfonyl)hexanoate

HCID 57788372
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Basic information

Standard SMILES
CCCC(CCC(F)(F)C(F)(F)F)(C(=O)OC)S(=O)(=O)CCC(F)(F)F
InChIKey
MHLIYIYYGFWPPT-UHFFFAOYSA-N
Molecular formula
C13H18F8O4S
Average molar mass
422.33 g/mol
Monoisotopic mass
422.07980552

Names & identifiers

Preferred name
Methyl 5,5,6,6,6-pentafluoro-2-propyl-2-(3,3,3-trifluoropropylsulfonyl)hexanoate
IUPAC
methyl 5,5,6,6,6-pentafluoro-2-propyl-2-(3,3,3-trifluoropropylsulfonyl)hexanoate

Names & synonyms

SCHEMBL2428941MHLIYIYYGFWPPT-UHFFFAOYSA-Nmethyl 5,5,6,6,6-pentafluoro-2-propyl-2-(3,3,3-trifluoropropylsulfonyl)hexanoate

Database identifiers

PubChem CID
57788372

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
68.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
12
Rotatable bonds
10
Heavy atoms
26

Related reactions

1 records
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Compound notes

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