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2-Cyclopropyl-1-fluoro-4-iodobenzene

HCID 68564110
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1ccc(I)cc1C1CC1
InChIKey
JRURIFMZGKZOSH-UHFFFAOYSA-N
Molecular formula
C9H8FI
Average molar mass
262.06 g/mol

Names & identifiers

Preferred name
2-Cyclopropyl-1-fluoro-4-iodobenzene
IUPAC
2-cyclopropyl-1-fluoro-4-iodobenzene

Names & synonyms

SCHEMBL3244519JRURIFMZGKZOSH-UHFFFAOYSA-N2-cyclopropyl-1-fluoro-4-iodobenzene

Database identifiers

PubChem CID
68564110

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
144

Related reactions

3 records
New reaction record
HRID 19792 reaction equation
HRID 19792As productuspto-grants-2010_06
HRID 19793 reaction equation
HRID 19793As reactantuspto-grants-2010_06
HRID 1232699 reaction equation
HRID 1232699As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes