UCSF

ZINC19594782

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 12 Yes

Popular Name: Ethyl 3-amino-4,4,4-trifluorobutyrate Ethyl 3-amino-4,4,4-trifluorobut…

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CAS Numbers: 146425-31-2 , 17078-29-4 , 170804-18-9

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.30 2.01 -5.34 2 3 0 52 185.145 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 100-102° Oakwood Chemical
Boiling_Point 70-71?/4mm Alfa-Aesar
BP 70-71° Fluorochem
Boiling_Point 70-71°/4mm Alfa-Aesar
Purity 95% Fluorochem

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Analogs ( Draw Identity 99% 90% 80% 70% )