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819-60-3

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Basic Information
CAS No.: 819-60-3
Name: N-(2,2,2-TRIFLUOROETHYL)UREA
Article Data: 3
Molecular Structure:
Molecular Structure of 819-60-3 (N-(2,2,2-TRIFLUOROETHYL)UREA)
Formula: C3H5F3N2O
Molecular Weight: 142.081
Synonyms: Urea,(2,2,2-trifluoroethyl)- (7CI,8CI,9CI);NSC 71978;
Density: 1.365 g/cm3
Boiling Point: 115.9 °C at 760 mmHg
Flash Point: 23.9 °C
PSA: 55.12000
LogP: 1.30820
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Specification

The Urea,N-(2,2,2-trifluoroethyl)-, with the CAS registry number 819-60-3, is also known as 1-(2,2,2-Trifluoroethyl)urea. This chemical's molecular formula is C3H5F3N2O and molecular weight is 142.0798. What's more, its IUPAC name is called 2,2,2-Trifluoroethylurea.

Physical properties about Urea,N-(2,2,2-trifluoroethyl)- are: (1) ACD/LogP: 0.07; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.07; (4) ACD/LogD (pH 7.4): 0.07; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 26.15; (8) ACD/KOC (pH 7.4): 26.15; (9) #H bond acceptors: 3; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 23.55 Å2; (13) Index of Refraction: 1.37; (14) Molar Refractivity: 23.56 cm3; (15) Molar Volume: 104 cm3; (16) Surface Tension: 26.9 dyne/cm; (17) Density: 1.365 g/cm3; (18) Flash Point: 23.9 °C; (19) Enthalpy of Vaporization: 35.42 kJ/mol; (20) Boiling Point: 115.9 °C at 760 mmHg; (21) Vapour Pressure: 18.7 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)CNC(=O)N
(2) InChI: InChI=1/C3H5F3N2O/c4-3(5,6)1-8-2(7)9/h1H2,(H3,7,8,9)
(3) InChIKey: KBHCMKXZLFVXRD-UHFFFAOYAT