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Methyl 4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate

HCID 77229934
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C1CC(S(=O)(=O)c2ccccc2C(F)(F)F)CN1
InChIKey
VCGCNMWUZAPYQS-UHFFFAOYSA-N
Molecular formula
C13H14F3NO4S
Average molar mass
337.32 g/mol
Monoisotopic mass
337.05956359

Names & identifiers

Preferred name
Methyl 4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate
IUPAC
methyl 4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate

Names & synonyms

VCGCNMWUZAPYQS-UHFFFAOYSA-NMethyl 4-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate

Database identifiers

PubChem CID
77229934

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
80.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
22
Formal charge
0
Complexity
514

Related reactions

5 records
New reaction record
HRID 142021 reaction equation
HRID 142021As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 306544 reaction equation
HRID 306544As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1127948 reaction equation
HRID 1127948As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1133697 reaction equation
HRID 1133697As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2143901 reaction equation
HRID 2143901As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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