3,3-DIFLUOROAZETIDINE HYDROCHLORIDE

The IUPAC name of 3,3-Difluoroazetidine hydrochloride is 3,3-difluoroazetidine hydrochloride. With the CAS registry number 288315-03-7, it is also named as Azetidine,3,3-difluoro-, hydrochloride (1:1). The product is white or light brown crystalline powder, which should be stored in a sealed, cool, ventilated and dry place. In addition, its molecular formula is C₃H₅F₂N^.HCl and molecular weight is 129.54.

The other characteristics of 3,3-Difluoroazetidine hydrochloride can be summarized as: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.6; (4)ACD/LogD (pH 7.4): -0.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.99; (8)ACD/KOC (pH 7.4): 16.77; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Rotatable Bond Count: 0; (13)Exact Mass: 129.015683; (14)MonoIsotopic Mass: 129.015683; (15)Topological Polar Surface Area: 12; (16)Heavy Atom Count: 7; (17)Complexity: 55.8; (18)Polar Surface Area: 3.24 Å²; (19)Enthalpy of Vaporization: 29.48 kJ/mol; (20)Boiling Point: 51.5 °C at 760 mmHg; (21)Melting Point: 138-143 °C; (22)Vapour Pressure: 275 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.FC1(F)CNC1
(2)InChI: InChI=1/C3H5F2N.ClH/c4-3(5)1-6-2-3;/h6H,1-2H2;1H
(3)InChIKey: CDBAEFXTCRKJPZ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C3H5F2N.ClH/c4-3(5)1-6-2-3;/h6H,1-2H2;1H
(5)Std. InChIKey: CDBAEFXTCRKJPZ-UHFFFAOYSA-N