[1-(diethylamino)-2,3,3,3-tetrafluoroprop-1-en-1-yl]diethylamine

• ChemBase ID: 94093
• Molecular Formular: C11H20F4N2
• Molecular Mass: 256.2835128
• Monoisotopic Mass: 256.15626153
• SMILES: FC(=C(N(CC)CC)N(CC)CC)C(F)(F)F
• Canonical SMILES: CCN(C(=C(C(F)(F)F)F)N(CC)CC)CC
• InChI: InChI=1S/C11H20F4N2/c1-5-16(6-2)10(17(7-3)8-4)9(12)11(13,14)15/h5-8H2,1-4H3
• InChIKey: SLOPXEYTPNAGPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(diethylamino)-2,3,3,3-tetrafluoroprop-1-en-1-yl]diethylamine
• IUPAC Traditional name: [1-(diethylamino)-2,3,3,3-tetrafluoroprop-1-en-1-yl]diethylamine
• Synonyms: 1,1-Bis(diethylamino)tetrafluoro-1-propene; 1,1-Bis(diethylamino)tetrafluoro-1-propene 97%; 1,1-双(二乙基氨基)四氟-1-丙烯

Database IDs

• CAS Number: 216393-97-4
• MDL Number: MFCD00069161
• PubChem SID: 162080748
• PubChem CID: 2736019

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.102507
• LogD (pH = 7.4): 3.1050546
• Log P: 3.105087
• Molar Refractivity: 72.4138 cm^3
• Polarizability: 22.124117 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 67°C/2.5mm; 67°C/2.5mm
• Refractive Index: 1.4265

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 97%