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

HCID 57788341
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Basic information

Standard SMILES
COC(=O)C(Br)(CCC(F)(F)C(F)(F)F)S(=O)(=O)CCC(F)(F)F
InChIKey
PRBROANQZLMLNB-UHFFFAOYSA-N
Molecular formula
C10H11BrF8O4S
Average molar mass
459.15 g/mol
Monoisotopic mass
457.94337

Names & identifiers

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

Names & synonyms

SCHEMBL2431576PRBROANQZLMLNB-UHFFFAOYSA-Nmethyl 2-bromo-5,5,6,6,6-pentafluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanoate

Database identifiers

PubChem CID
57788341

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
68.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
12
Rotatable bonds
8
Heavy atoms
24

Related reactions

1 records
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Compound notes

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