trifluoromethanesulfonyl azide

• ChemBase ID: 129992
• Molecular Formular: CF3N3O2S
• Molecular Mass: 175.0898096
• Monoisotopic Mass: 174.96633192
• SMILES: FC(F)(F)S(=O)(=O)N=[N+]=[N-]
• Canonical SMILES: FC(S(=O)(=O)N=[N+]=[N-])(F)F
• InChI: InChI=1S/CF3N3O2S/c2-1(3,4)10(8,9)7-6-5
• InChIKey: NQPHMXWPDCSHTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoromethanesulfonyl azide
• IUPAC Traditional name: trifluoromethanesulfonyl azide
• Synonyms: Trifluoromethanesulfonyl azide

Database IDs

• CAS Number: 3855-45-6
• PubChem SID: 162224278
• PubChem CID: 10986786
• Chemspider ID: 9161983
• Wikipedia Title: Trifluoromethanesulfonyl_azide

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1040001
• LogD (pH = 7.4): 1.1040001
• Log P: 1.2180457
• Molar Refractivity: 23.0744 cm^3
• Polarizability: 9.389056 Å^3
• Polar Surface Area: 63.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water