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CAS No.: | 1159882-59-3 |
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Name: | 3,3-Difluorocyclobutanemethanamine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C5H9F2N |
Molecular Weight: | 121.13 |
Synonyms: | 3,3-Difluorocyclobutanemethanamine; |
Density: | 1.123 g/cm3; |
Boiling Point: | 117.723 °C at 760 mmHg |
Flash Point: | 19.932 °C |
PSA: | 26.02000 |
LogP: | 1.69070 |
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The IUPAC name of this product is (3,3-Difluorocyclobutyl)methanamine, and its CAS registry number is 1159882-59-3. It is also named as 3,3-Difluorocyclobutanemethanamine. This chemical's molecular formula is C5H9F2N and molecular weight is 121.1284664.
Physical properties about (3,3-Difluorocyclobutyl)methanamine are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 1; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 26.02 Å2; (10)Index of Refraction: 1.415; (11)Molar Refractivity: 26.995 cm3; (12)Molar Volume: 107.871 cm3; (13)Polarizability: 10.702×10-24 cm3; (14)Surface Tension: 25.704 dyne/cm; (15)Density: 1.123 g/cm3; (16)Flash Point: 19.932 °C; (17)Enthalpy of Vaporization: 35.598 kJ/mol; (18)Boiling Point: 117.723 °C at 760 mmHg; (19)Vapour Pressure: 17.208 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C1C(CC1(F)F)CN
(2) InChI: InChI=1/C5H9F2N/c6-5(7)1-4(2-5)3-8/h4H,1-3,8H2
(3) InChIKey: BUVXADKKXYLSTP-UHFFFAOYAL