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5-Chloro-5-(dichloromethyl)-4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazole

HCID 10979441
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCC1(C)N=C(C(F)(F)F)OC1(Cl)C(Cl)Cl
InChIKey
LCIRUWUXCPTRPJ-UHFFFAOYSA-N
Molecular formula
C8H9Cl3F3NO
Average molar mass
298.5 g/mol

Names & identifiers

Preferred name
5-Chloro-5-(dichloromethyl)-4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazole
IUPAC
5-chloro-5-(dichloromethyl)-4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazole

Names & synonyms

LCIRUWUXCPTRPJ-UHFFFAOYSA-N5-chloro-5-(dichloromethyl)-4-ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazole

Database identifiers

PubChem CID
10979441

Properties

Computed structural properties

XLogP
4
Topological polar surface area
21.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
320

Related reactions

1 records
New reaction record
HRID 2341242 reaction equation
HRID 2341242As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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