Name: N-(2-IODOETHYL)TRIFLUORO-ACETAMIDE
SKU: 67680-56-2

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Basic Information

Molecular Structure:
CAS No.:	67680-56-2
Name:	N-(2-IODOETHYL)TRIFLUORO-ACETAMIDE
Article Data:	2

Formula:	C₄H₅F₃INO
Molecular Weight:	266.99
Synonyms:	2,2,2-Trifluoro-N-(2-iodoethyl)acetamide;N-(2-Iodoethyl)trifluoro-acetamide;N-(b-Iodoethyl)trifluoroacetamide;N-(Iodoethyl)trifluoroacetamide;
Density:	1.967 g/cm³
Melting Point:	66-67 °C
Boiling Point:	242 °C at 760 mmHg
Flash Point:	100.1 °C
Hazard Symbols:	Xi
PSA:	29.10000
LogP:	1.49080

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Specification

The Acetamide, 2,2,2-trifluoro-N-(2-iodoethyl)-, with the CAS registry number 67680-56-2, is also known as N-(2-Iodoethyl)trifluoro-acetamide. This chemical's molecular formula is C₄H₅F₃INO and molecular weight is 266.99. What's more, its systematic name is 2,2,2-Trifluoro-N-(2-iodoethyl)acetamide and its storage temperature is 0-6 °C.

Physical properties of Acetamide, 2,2,2-trifluoro-N-(2-iodoethyl)- are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 7.87; (6)ACD/BCF (pH 7.4): 7.87; (7)ACD/KOC (pH 5.5): 152.44; (8)ACD/KOC (pH 7.4): 152.3; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 37.63 cm³; (15)Molar Volume: 135.7 cm³; (16)Polarizability: 14.91×10^-24cm³; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 1.967 g/cm³; (19)Flash Point: 100.1 °C; (20)Enthalpy of Vaporization: 47.89 kJ/mol; (21)Boiling Point: 242 °C at 760 mmHg; (22)Vapour Pressure: 0.0348 mmHg at 25°C.

Uses of Acetamide, 2,2,2-trifluoro-N-(2-iodoethyl)-: it can be used to produce Methyl 6-cyano-2,3-isopropylidene-5,6,7,8,9-pentadeoxy-9-(trifluoroacetamido)-b-D-nonaribofuranose at the ambient temperature. It will need reagents Zn, FeCl₃•6H₂O, NaI and solvent pyridine with the reaction time of 45 min. The yield is about 85%.

Acetamide, 2,2,2-trifluoro-N-(2-iodoethyl)- can be used to produce Methyl 6-cyano-2,3-isopropylidene-5,6,7,8,9-pentadeoxy-9-(trifluoroacetamido)-b-D-nonaribofuranose at the ambient temperature

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CI)NC(=O)C(F)(F)F
(2)InChI: InChI=1S/C4H5F3INO/c5-4(6,7)3(10)9-2-1-8/h1-2H2,(H,9,10)
(3)InChIKey: QFRHEHPVTSCSIH-UHFFFAOYSA-N