2,2,2-Trichloroethyl pentanoate

HCID 527264
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Basic information

Standard SMILES
CCCCC(=O)OCC(Cl)(Cl)Cl
InChIKey
IQMBQFVYGSNNES-UHFFFAOYSA-N
Molecular formula
C7H11Cl3O2
Average molar mass
233.5 g/mol

Names & identifiers

Preferred name
2,2,2-Trichloroethyl pentanoate
IUPAC
2,2,2-trichloroethyl pentanoate

Names & synonyms

2,2,2-Trichloroethyl pentanoatetrichloroethyl valerateSCHEMBL9095809Pentanoic acid, 2,2,2-trichloroethyl ester

Database identifiers

PubChem CID
527264

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
12

Related reactions

2 records
New reaction record

Compound notes

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