N-tert-butyl-2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanamide

• ChemBase ID: 95850
• Molecular Formular: C10H10F11NO2
• Molecular Mass: 385.1743352
• Monoisotopic Mass: 385.05358899
• SMILES: O(C(C(C(F)(F)F)(F)F)(F)F)C(C(=O)NC(C)(C)C)(C(F)(F)F)F
• Canonical SMILES: O=C(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)NC(C)(C)C
• InChI: InChI=1S/C10H10F11NO2/c1-5(2,3)22-4(23)6(11,8(14,15)16)24-10(20,21)7(12,13)9(17,18)19/h1-3H3,(H,22,23)
• InChIKey: XGVHKZFCNJODGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butyl-2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanamide
• IUPAC Traditional name: N-tert-butyl-2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanamide
• Synonyms: N-(tert-butyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide

Database IDs

• MDL Number: MFCD00387772
• PubChem SID: 162082499
• PubChem CID: 2780515

CALCULATED PROPERTIES

• Acid pKa: 3.1743412
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5396295
• LogD (pH = 7.4): 3.5242481
• Log P: 4.466992
• Molar Refractivity: 55.6617 cm^3
• Polarizability: 20.663567 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true