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4-(Bromomethyl)-1-(4-fluorophenyl)pyrrolidin-2-one

HCID 21935487
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1CC(CBr)CN1c1ccc(F)cc1
InChIKey
DJYJRSNLNWQEMQ-UHFFFAOYSA-N
Molecular formula
C11H11BrFNO
Average molar mass
272.11 g/mol

Names & identifiers

Preferred name
4-(Bromomethyl)-1-(4-fluorophenyl)pyrrolidin-2-one
IUPAC
4-(bromomethyl)-1-(4-fluorophenyl)pyrrolidin-2-one

Names & synonyms

SCHEMBL4340103DJYJRSNLNWQEMQ-UHFFFAOYSA-N4-(bromomethyl)-1-(4-fluorophenyl)pyrrolidin-2-one

Database identifiers

PubChem CID
21935487

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
241

Related reactions

6 records
New reaction record
HRID 271237 reaction equation
HRID 271237As productuspto-grants-2008_11
HRID 271238 reaction equation
HRID 271238As reactantuspto-grants-2008_11
HRID 855578 reaction equation
HRID 855578As productuspto-grants-2007_08
HRID 855579 reaction equation
HRID 855579As reactantuspto-grants-2007_08
HRID 2122688 reaction equation
HRID 2122688As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2129506 reaction equation
HRID 2129506As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes