4,4,4-Trifluoro-3-formyl-butyric acid ethyl ester

HCID 90103465
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Basic information

Standard SMILES
CCOC(=O)CC(C=O)C(F)(F)F
InChIKey
AJJJBAUASFSALR-UHFFFAOYSA-N
Molecular formula
C7H9F3O3
Average molar mass
198.14 g/mol
Monoisotopic mass
198.05037863

Names & identifiers

Preferred name
4,4,4-Trifluoro-3-formyl-butyric acid ethyl ester
IUPAC
ethyl 4,4,4-trifluoro-3-formylbutanoate

Names & synonyms

4,4,4-trifluoro-3-formyl-butyric acid ethyl esterSCHEMBL15650250racemic 4,4,4-trifluoro-3-formyl-butyric acid ethyl ester

Database identifiers

PubChem CID
90103465

Properties

Computed structural properties

XLogP
1
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
13

Related reactions

2 records
New reaction record

Compound notes

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