diethylamine; hexafluoroprop-1-ene

• ChemBase ID: 8928
• Molecular Formular: C7H11F6N
• Molecular Mass: 223.1593592
• Monoisotopic Mass: 223.07956868
• SMILES: N(CC)CC.C(=C(C(F)(F)F)F)(F)F
• Canonical SMILES: FC(=C(C(F)(F)F)F)F.CCNCC
• InChI: InChI=1S/C4H11N.C3F6/c1-3-5-4-2;4-1(2(5)6)3(7,8)9/h5H,3-4H2,1-2H3
• InChIKey: OBDFQUSHNJZDSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethylamine; hexafluoroprop-1-ene
• IUPAC Traditional name: diethylamine; hexafluoropropylene
• Synonyms: Hexafluoropropene diethylamine

Database IDs

• MDL Number: MFCD00060264
• PubChem SID: 160972235
• PubChem CID: 11770067

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8124412
• LogD (pH = 7.4): 1.8124412
• Log P: 1.8124412
• Molar Refractivity: 27.8392 cm^3
• Polarizability: 6.0836596 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 56-57°C
• Density: 1.23

Safety Information

• Storage Warning: FLAMMABLE, CORROSIVE
• TSCA Listed: false