2,2,2-Trifluoroethyl 3-oxobutanoate

Base Information

• Chemical Name: 2,2,2-Trifluoroethyl 3-oxobutanoate
• CAS No.: 29816-98-6
• Molecular Formula: C6H7F3O3
• Molecular Weight: 184.115
• DSSTox Substance ID: DTXSID90442031
• Nikkaji Number: J909.831C
• Wikidata: Q82259088
• Mol file: 29816-98-6.mol

Synonyms:2,2,2-trifluoroethyl 3-oxobutanoate;29816-98-6;SCHEMBL1319236;DTXSID90442031;3-Oxobutyric acid 2,2,2-trifluoroethyl ester;3-Oxo-butyric acid 2,2,2-trifluoro-ethyl ester

Chemical Property of 2,2,2-Trifluoroethyl 3-oxobutanoate

Chemical Property:

• Boiling Point: 64 °C (12 mmHg)
• PSA: 43.37000
• LogP: 1.07100
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 184.03472857
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)OCC(F)(F)F

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