UCSF

ZINC02511158

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 3-Fluoro-4-(trifluoromethyl)pyridine 3-Fluoro-4-(trifluoromethyl)pyri…

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CAS Numbers: 113770-87-9 , 603310-20-9 , [113770-87-9]

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) 1.85 3.78 -4.24 0 1 0 13 165.089 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 37?/10mm Alfa-Aesar
BP 37°/10mm Matrix Scientific
Purity 98% Matrix Scientific
Warnings Flammable Matrix Scientific
Warnings IRRITANT, FLAMMABLE Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.