UCSF

ZINC19230082

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 11 Yes

Popular Name: 1-(2,2,2-Trifluoroethyl)piperazine 1-(2,2,2-Trifluoroethyl)piperazine

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CAS Numbers: 13349-90-1 , 13349-91-2 , 195447-63-3 , [195447-63-3]

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) 0.56 1.22 -40.78 2 2 1 20 169.17 2 ↓
Mid Mid (pH 6-8) 0.56 -0.15 -3.17 1 2 0 15 168.162 2 ↓
Mid Mid (pH 6-8) 0.56 2.05 -34.33 2 2 1 16 169.17 2 ↓
Mid Mid (pH 6-8) 0.56 -1.34 -35.93 0 2 -1 17 167.154 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 207°(Dec) Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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