4-(nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one

Base Information

• Chemical Name: 4-(nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one
• CAS No.: 96146-12-2
• Molecular Formula: C13H7F9N2O
• DSSTox Substance ID: DTXSID80896206
• ChEMBL ID: CHEMBL1605407

Synonyms:4-(nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one;96146-12-2;SMR000141215;CBMicro_049873;MLS000533777;CHEMBL1605407;DTXSID80896206;HMS2305P19;CCG-3919;STL445725;AKOS005221577;BIM-0049812.P001

Chemical Property of 4-(nonafluorobutyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 378.04146631
• Heavy Atom Count: 25
• Complexity: 570

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MSDS Files:

Useful:

• Canonical SMILES: C1C(=NC2=CC=CC=C2NC1=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

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