(R)-1-Boc-3-fluoro pyrrolidine supplier

Name
(R)-1-BOC-3-FLUORO PYRROLIDINE
EINECS
CAS No. 876617-25-3
Article Data3
CAS DataBase
Density 1.08 g/cm³
Solubility
Melting Point
Formula C₉H₁₆FNO₂
Boiling Point 230.4 °C at 760 mmHg
Molecular Weight 189.23
Flash Point 93.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl (3R)-3-fluoropyrrolidine-1-carboxylate;N-t-Boc-(3R)-fluoropyrrolidine;
PSA 29.54000
LogP 1.90320

(R)-1-Boc-3-fluoro pyrrolidine Specification

The 1-Pyrrolidinecarboxylicacid, 3-fluoro-, 1,1-dimethylethyl ester, (3R)-, with the CAS registry number 876617-25-3, is also known as N-t-Boc-(3R)-fluoropyrrolidine. This chemical's molecular formula is C₉H₁₆FNO₂ and molecular weight is 189.23. What's more, its systematic name is tert-butyl (3R)-3-fluoropyrrolidine-1-carboxylate.

Physical properties of 1-Pyrrolidinecarboxylicacid, 3-fluoro-, 1,1-dimethylethyl ester, (3R)- are: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 29.54 Å²; (9)Index of Refraction: 1.455; (10)Molar Refractivity: 47.51 cm³; (11)Molar Volume: 175 cm³; (12)Polarizability: 18.83×10^-24cm³; (13)Surface Tension: 31.9 dyne/cm; (14)Density: 1.08 g/cm³; (15)Flash Point: 93.2 °C; (16)Enthalpy of Vaporization: 46.7 kJ/mol; (17)Boiling Point: 230.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0659 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC[C@@H](F)C1
(2)Std. InChI: InChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m1/s1
(3)Std. InChIKey: SUECTKVSIDXQQE-SSDOTTSWSA-N

Product Name

(R)-1-BOC-3-FLUORO PYRROLIDINE

(R)-1-Boc-3-fluoro pyrrolidine Specification

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