UCSF

ZINC02584461

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 19 Yes

Popular Name: 3'-TRIFLUOROMETHYL-2,2-DIMETHYLVALERANILIDE 3'-TRIFLUOROMETHYL-2,2-DIMETHYLV…

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CAS Number: 2300-87-0

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) 4.58 3.5 -6.57 1 2 0 29 273.298 5 ↓

Vendor Notes

Note Type Comments Provided By
Notes Trifluoromethylating agent Apollo Scientific

Activity (Go SEA)

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