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Basic Information
CAS No.: 406-99-5
Name: 2-(2,2-DIFLUORO-PROPYLAMINO)-ETHANOL
Article Data: 3
Molecular Structure:
Molecular Structure of 406-99-5 (2-(2,2-DIFLUORO-PROPYLAMINO)-ETHANOL)
Formula: C5H11F2NO
Molecular Weight: 139.145
Synonyms: 2-[(2,2-Difluoropropyl)amino]ethanol;
Density: 1.084 g/cm3
Boiling Point: 184.6 °C at 760 mmHg
Flash Point: 65.4 °C
PSA: 32.26000
LogP: 0.61440
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Specification

The CAS registry number of Ethanol,2-[(2,2-difluoropropyl)amino]- is 406-99-5. It belongs to the product category of Pharmacetical. This chemical is also named as 2-[(2,2-Difluoropropyl)amino]ethanol. In addition, its molecular formula is C5H11F2NO and molecular weight is 139.14. Its IUPAC name is called 2-(2,2-difluoropropylamino)ethanol.

Physical properties about Ethanol,2-[(2,2-difluoropropyl)amino]- are: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.98; (4)ACD/LogD (pH 7.4): -0.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.82; (8)ACD/KOC (pH 7.4): 13.75; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.393; (13)Molar Refractivity: 30.63 cm3; (14)Molar Volume: 128.3 cm3; (15)Surface Tension: 26 dyne/cm; (16)Density: 1.084 g/cm3; (17)Flash Point: 65.4 °C; (18)Enthalpy of Vaporization: 48.98 kJ/mol; (19)Boiling Point: 184.6 °C at 760 mmHg; (20)Vapour Pressure: 0.207 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C)CNCCO
(2)InChI: InChI=1/C5H11F2NO/c1-5(6,7)4-8-2-3-9/h8-9H,2-4H2,1H3
(3)InChIKey: LAGPFVVEINXXFN-UHFFFAOYAB