Methyl 2-chloro-6,6,6-trifluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanoate

HCID 57788424
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Basic information

Standard SMILES
COC(=O)C(Cl)(CCCC(F)(F)F)S(=O)(=O)CCC(F)(F)F
InChIKey
DPWBLHYESFPUMJ-UHFFFAOYSA-N
Molecular formula
C10H13ClF6O4S
Average molar mass
378.72 g/mol
Monoisotopic mass
378.0127267

Names & identifiers

Preferred name
Methyl 2-chloro-6,6,6-trifluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanoate
IUPAC
methyl 2-chloro-6,6,6-trifluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanoate

Names & synonyms

SCHEMBL2431629DPWBLHYESFPUMJ-UHFFFAOYSA-Nmethyl 2-chloro-6,6,6-trifluoro-2-(3,3,3-trifluoropropylsulfonyl)hexanoate

Database identifiers

PubChem CID
57788424

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
68.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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