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3-Cyclopentyl-2-[3-(trifluoromethyl)phenyl]propanoyl chloride

HCID 87303136
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Cl)C(CC1CCCC1)c1cccc(C(F)(F)F)c1
InChIKey
GINKTXPDZRYLDF-UHFFFAOYSA-N
Molecular formula
C15H16ClF3O
Average molar mass
304.73 g/mol

Names & identifiers

Preferred name
3-Cyclopentyl-2-[3-(trifluoromethyl)phenyl]propanoyl chloride
IUPAC
3-cyclopentyl-2-[3-(trifluoromethyl)phenyl]propanoyl chloride

Names & synonyms

SCHEMBL1861798

Database identifiers

PubChem CID
87303136

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
337

Related reactions

4 records
New reaction record
HRID 286582 reaction equation
HRID 286582As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 308964 reaction equation
HRID 308964As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 955295 reaction equation
HRID 955295As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 2314197 reaction equation
HRID 2314197As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes