2,2,2-trifluoro-N,N-bis(prop-2-en-1-yl)acetamide

• ChemBase ID: 145355
• Molecular Formular: C8H10F3NO
• Molecular Mass: 193.1663096
• Monoisotopic Mass: 193.07144861
• SMILES: C=CCN(CC=C)C(=O)C(F)(F)F
• Canonical SMILES: C=CCN(C(=O)C(F)(F)F)CC=C
• InChI: InChI=1S/C8H10F3NO/c1-3-5-12(6-4-2)7(13)8(9,10)11/h3-4H,1-2,5-6H2
• InChIKey: YLFAOCVUPKJNHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,2-trifluoro-N,N-bis(prop-2-en-1-yl)acetamide
• IUPAC Traditional name: 2,2,2-trifluoro-N,N-bis(prop-2-en-1-yl)acetamide
• Synonyms: N,N-Diallyl-2,2,2-trifluoroacetamide; N,N-二烯丙基-2,2,2-三氟乙酰胺

Database IDs

• CAS Number: 14618-49-6
• MDL Number: MFCD00593967
• PubChem SID: 24871413; 162239561
• PubChem CID: 246339

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.011892
• LogD (pH = 7.4): 2.011892
• Log P: 2.011892
• Molar Refractivity: 43.5949 cm^3
• Polarizability: 15.603266 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 67-68.5 °C/13 mmHg(lit.)
• Flash Point: 147.2 °F; 64 °C
• Density: 1.13 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.413(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%
• Linear Formula: CF3CON(CH2CH=CH2)2

DETAILS

Sigma Aldrich - 477761

Packaging
5 mL in glass bottle