2,2,2-Trichloroethyl propionate

HCID 527151
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(=O)OCC(Cl)(Cl)Cl
InChIKey
MEFWWUOADZDECZ-UHFFFAOYSA-N
Molecular formula
C5H7Cl3O2
Average molar mass
205.46 g/mol
Monoisotopic mass
203.951163

Names & identifiers

Preferred name
2,2,2-Trichloroethyl propionate
IUPAC
2,2,2-trichloroethyl propanoate

Names & synonyms

2,2,2-Trichloroethyl propionatetrichloroethyl propionateSCHEMBL6447039SCHEMBL7550109SCHEMBL7550112Propanoic acid, 2,2,2-trichloroethyl ester

Database identifiers

PubChem CID
527151

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
10

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1087；1078；1080；1089；1094；1101；1057

1503；1484；1494；1504；1532

Related reactions

5 records
New reaction record

Compound notes

Loading…