Methyl 2-chloro-5,5,6,6,7,7,7-heptafluoro-2-(3,3,3-trifluoropropylsulfonyl)heptanoate

HCID 57788438

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)C(Cl)(CCC(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)CCC(F)(F)F
InChIKey: PERAJKSIWDSMMZ-UHFFFAOYSA-N
Molecular formula: C11H11ClF10O4S
Average molar mass: 464.7 g/mol

Names & identifiers

Preferred name: Methyl 2-chloro-5,5,6,6,7,7,7-heptafluoro-2-(3,3,3-trifluoropropylsulfonyl)heptanoate
IUPAC: methyl 2-chloro-5,5,6,6,7,7,7-heptafluoro-2-(3,3,3-trifluoropropylsulfonyl)heptanoate

Names & synonyms

SCHEMBL2437078PERAJKSIWDSMMZ-UHFFFAOYSA-Nmethyl 2-chloro-5,5,6,6,7,7,7-heptafluoro-2-(3,3,3-trifluoropropylsulfonyl)heptanoate

Database identifiers

PubChem CID: 57788438

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 68.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 14
Rotatable bonds: 9
Heavy atoms: 27
Formal charge: 0
Complexity: 637

Related reactions

2 records

New reaction record

HRID 126520 reaction equation

HRID 126520As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 2130739 reaction equation

HRID 2130739As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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Methyl 2-chloro-5,5,6,6,7,7,7-heptafluoro-2-(3,3,3-trifluoropropylsulfonyl)heptanoate (HCID 57788438)｜Huagongshe