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1086372-16-8

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Basic Information
CAS No.: 1086372-16-8
Name: (1R,2S)-2-Fluorocyclopropanamine
Molecular Structure:
Molecular Structure of 1086372-16-8 ((1R,2S)-2-Fluorocyclopropanamine)
Formula: C3H6FN
Molecular Weight: 75.0848432
Synonyms: (1R-cis)2-Fluoro-cyclopropanamine;
Density: 1.08 g/cm3
Boiling Point: 58.1 °C at 760 mmHg
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Specification

The systematic name of this product is (1R,2S)-2-Fluorocyclopropanamine, and its CAS registry number is 1086372-16-8. It is also named as (1R-cis)2-Fluoro-cyclopropanamine. The molecular formula of this chemical is C3H6FN and its molecular weight is 75.0848432.

Physical properties about (1R,2S)-2-Fluorocyclopropanamine are: (1)ACD/LogP: -0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.9; (4)ACD/LogD (pH 7.4): -1.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.19; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 17.58 cm3; (15)Molar Volume: 68.9 cm3; (16)Polarizability: 6.97×10-24 cm3; (17)Surface Tension: 25.7 dyne/cm; (18)Density: 1.08 g/cm3; (19)Enthalpy of Vaporization: 30.08 kJ/mol; (20)Boiling Point: 58.1 °C at 760 mmHg; (21)Vapour Pressure: 211 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: F[C@H]1C[C@H]1N
(2) InChI: InChI=1/C3H6FN/c4-2-1-3(2)5/h2-3H,1,5H2/t2-,3+/m0/s1
(3) InChIKey: TUKJTSUSKQOYCD-STHAYSLIBN