Carbamic acid,N-[(1R,2S)-2-fluorocyclopropyl]-, 1,1-dimethylethyl ester (127199-16-0)

The (1R-cis)-(2-Fluorocyclopropyl)carbamic acid tert-butyl ester, with the CAS registry number 127199-16-0, has the systematic name of tert-butyl [(1R,2S)-2-fluorocyclopropyl]carbamate. It belongs to the product category of N-BOC. And the molecular formula of the chemical is C₈H₁₄FNO₂.

The characteristics of (1R-cis)-(2-Fluorocyclopropyl)carbamic acid tert-butyl ester are as followings: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.35; (6)ACD/BCF (pH 7.4): 3.35; (7)ACD/KOC (pH 5.5): 82.73; (8)ACD/KOC (pH 7.4): 82.73; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 42.62 cm³; (15)Molar Volume: 160.4 cm³; (16)Polarizability: 16.89×10^-24cm³; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 98 °C; (20)Enthalpy of Vaporization: 47.52 kJ/mol; (21)Boiling Point: 238.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0426 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: F[C@H]1C[C@H]1NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C8H14FNO2/c1-8(2,3)12-7(11)10-6-4-5(6)9/h5-6H,4H2,1-3H3,(H,10,11)/t5-,6+/m0/s1
(3)InChIKey: VWSDKMQGCVVQBV-NTSWFWBYBC