1,1,1-trifluoro-N,N-bis(7-methyloctyl)methanesulfonamide

• ChemBase ID: 162367
• Molecular Formular: C19H38F3NO2S
• Molecular Mass: 401.5707296
• Monoisotopic Mass: 401.25753512
• SMILES: C(CCCCCCN(CCCCCCC(C)C)S(=O)(=O)C(F)(F)F)(C)C
• Canonical SMILES: CC(CCCCCCN(S(=O)(=O)C(F)(F)F)CCCCCCC(C)C)C
• InChI: InChI=1S/C19H38F3NO2S/c1-17(2)13-9-5-7-11-15-23(26(24,25)19(20,21)22)16-12-8-6-10-14-18(3)4/h17-18H,5-16H2,1-4H3
• InChIKey: SGIULDUAUYRDLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1-trifluoro-N,N-bis(7-methyloctyl)methanesulfonamide
• IUPAC Traditional name: 1,1,1-trifluoro-N,N-bis(7-methyloctyl)methanesulfonamide
• Synonyms: N,N-Bis(7-methyloctanyl)trifluoromethane Sulfonamide

Database IDs

• PubChem SID: 162256502
• PubChem CID: 71314098

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.7988987
• LogD (pH = 7.4): 7.7988987
• Log P: 7.7988987
• Molar Refractivity: 101.9631 cm^3
• Polarizability: 40.22902 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ether; Methanol
• Apperance: Colourless Oil