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5-[2-Iodo-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

HCID 59135136
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1NC(=O)OC1c1cc(C(F)(F)F)ccc1I
InChIKey
CZEXGDWUXLRKJB-UHFFFAOYSA-N
Molecular formula
C11H9F3INO2
Average molar mass
371.09 g/mol

Names & identifiers

Preferred name
5-[2-Iodo-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
IUPAC
5-[2-iodo-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Names & synonyms

SCHEMBL531333CZEXGDWUXLRKJB-UHFFFAOYSA-N5-[2-iodo-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Database identifiers

PubChem CID
59135136

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
18
Formal charge
0
Complexity
337

Related reactions

5 records
New reaction record
HRID 96041 reaction equation
HRID 96041As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 176520 reaction equation
HRID 176520As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 950333 reaction equation
HRID 950333As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1138469 reaction equation
HRID 1138469As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2320395 reaction equation
HRID 2320395As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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