1-(4-Fluorophenyl)cyclopentanecarbonitrile

The Cyclopentanecarbonitrile,1-(4-fluorophenyl)-, with the CAS registry number 83706-50-7, is also known as 1-(4-Fluorophenyl)cyclopentanecarbonitrile. Its EINECS registry number is 280-526-7. This chemical's molecular formula is C₁₂H₁₂FN and molecular weight is 189.2288. What's more, its IUPAC name is 1-(4-Fluorophenyl)cyclopentane-1-carbonitrile.

Physical properties about Cyclopentanecarbonitrile,1-(4-fluorophenyl)- are: (1) ACD/LogP: 2.72; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.72; (4) ACD/LogD (pH 7.4): 2.72; (5) ACD/BCF (pH 5.5): 68.31; (6) ACD/BCF (pH 7.4): 68.31; (7) ACD/KOC (pH 5.5): 715.73; (8) ACD/KOC (pH 7.4): 715.73; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 23.79 Å²; (13) Index of Refraction: 1.534; (14) Molar Refractivity: 52.55 cm³; (15) Molar Volume: 168.9 cm³; (16) Polarizability: 20.83×10^-24 cm³; (17) Surface Tension: 41 dyne/cm; (18) Density: 1.12 g/cm³; (19) Flash Point: 129.5 °C; (20) Enthalpy of Vaporization: 54.38 kJ/mol; (21) Boiling Point: 303.5 °C at 760 mmHg; (22) Vapour Pressure: 0.000929 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. In addition, it is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)C2(C#N)CCCC2
(2) InChI: InChI=1/C12H12FN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-8H2
(3) InChIKey: MAGOCEYAQAZRNE-UHFFFAOYAI