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tert-Butyl (4-fluoro-3-pyrrolidinyl)carbamate

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Name

tert-Butyl (4-fluoro-3-pyrrolidinyl)carbamate

EINECS N/A
CAS No. 351369-12-5 Density 1.1 g/cm3
PSA 50.36000 LogP 1.54070
Solubility N/A Melting Point N/A
Formula C9H17FN2O2 Boiling Point 295.3 °C at 760 mmHg
Molecular Weight 204.245 Flash Point 132.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 351369-12-5 (Carbamic acid, (4-fluoro-3-pyrrolidinyl)-, 1,1-dimethylethyl ester (9CI)) Hazard Symbols N/A
Synonyms

(4-Fluoropyrrolidin-3-yl)carbamic acid tert-butyl ester;Carbamic acid, N-(4-fluoro-3-pyrrolidinyl)-, 1,1-dimethylethyl ester;

Article Data 1

tert-Butyl (4-fluoro-3-pyrrolidinyl)carbamate Specification

The tert-Butyl (4-fluoro-3-pyrrolidinyl)carbamate, with the CAS registry number 351369-12-5, is also known as (4-Fluoropyrrolidin-3-yl)carbamic acid tert-butyl ester. It belongs to the product category of N-BOC. This chemical's molecular formula is C9H17FN2O2 and molecular weight is 204.24. Its systematic name is called tert-Butyl (4-fluoropyrrolidin-3-yl)carbamate.

Physical properties about this chemical are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 9.07; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 50.91 cm3; (13)Molar Volume: 184.5 cm3; (14)Surface Tension: 33.5 dyne/cm; (15)Density: 1.1 g/cm3; (16)Flash Point: 132.4 °C; (17)Enthalpy of Vaporization: 53.51 kJ/mol; (18)Boiling Point: 295.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00153 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NC1CNCC1F
(2)InChI: InChI=1/C9H17FN2O2/c1-9(2,3)14-8(13)12-7-5-11-4-6(7)10/h6-7,11H,4-5H2,1-3H3,(H,12,13)
(3)InChIKey: BZSDDSIFAGBZLT-UHFFFAOYAS

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