UCSF

ZINC00127652

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 2-(2,2,2-trifluoroethoxy)nicotinonitrile 2-(2,2,2-trifluoroethoxy)nicotin…

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CAS Numbers: 175277-89-1 , [175277-89-1]

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) 1.73 3.06 -10.05 0 3 0 46 202.135 3 ↓
Lo Low (pH 4.5-6) 1.73 3.77 -51.39 1 3 1 47 203.143 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 40 - 42 Enamine Building Blocks
MP 40...42 Enamine Building Blocks
MP 44-46° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Matrix Scientific
Warnings Irritant Matrix Scientific

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