CAS No.109086-17-1,2-(3-TRIFLUOROMETHYL-PHENYL)-PYRROLIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	109086-17-1
Name:	2-(3-TRIFLUOROMETHYL-PHENYL)-PYRROLIDINE
Article Data:	1

Formula:	C₁₁H₁₂F₃N
Molecular Weight:	215.218
Synonyms:	2-(3-Trifluoromethylphenyl)pyrrolidine;
Density:	1.179 g/cm³
Boiling Point:	234.6 °C at 760 mmHg
Flash Point:	95.7 °C
PSA:	12.03000
LogP:	3.45870

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Specification

This chemical is called Pyrrolidine,2-[3-(trifluoromethyl)phenyl]-, and its systematic name is 2-[3-(Trifluoromethyl)phenyl]pyrrolidine. With the molecular formula of C₁₁H₁₂F₃N, its molecular weight is 215.21. The CAS registry number of the chemical is 109086-17-1. Additionally, its product category is Pharmacetical.

Other characteristics of Pyrrolidine,2-[3-(trifluoromethyl)phenyl]- can be summarised as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å²; (7)Index of Refraction: 1.473; (8)Molar Refractivity: 51.21 cm³; (9)Molar Volume: 182.4 cm³; (10)Polarizability: 20.3×10^-24cm³; (11)Surface Tension: 29 dyne/cm; (12)Density: 1.179 g/cm³; (13)Flash Point: 95.7 °C; (14)Enthalpy of Vaporization: 47.13 kJ/mol; (15)Boiling Point: 234.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0525 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1cccc(c1)C2NCCC2
2.InChI: InChI=1/C11H12F3N/c12-11(13,14)9-4-1-3-8(7-9)10-5-2-6-15-10/h1,3-4,7,10,15H,2,5-6H2
3.InChIKey: JLVNEMRUEAMGSZ-UHFFFAOYAZ
4.Std. InChI: InChI=1S/C11H12F3N/c12-11(13,14)9-4-1-3-8(7-9)10-5-2-6-15-10/h1,3-4,7,10,15H,2,5-6H2
5.Std. InChIKey: JLVNEMRUEAMGSZ-UHFFFAOYSA-N