UCSF

ZINC00157349

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 13 Yes

Popular Name: 2-Fluoro-5-(trifluoromethyl)benzylamine 2-Fluoro-5-(trifluoromethyl)benz…

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CAS Numbers: 199296-61-2 , 231291-14-8 , [199296-61-2]

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) 2.11 1.06 -44.64 3 1 1 27 194.151 2 ↓
Hi High (pH 8-9.5) 0.92 3.85 -92.18 7 9 2 135 421.505 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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