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361393-84-2

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Basic Information
CAS No.: 361393-84-2
Name: Cyclohexanecarboxamide, 4-(trifluoromethyl)-
Molecular Structure:
Molecular Structure of 361393-84-2 (Cyclohexanecarboxamide, 4-(trifluoromethyl)-)
Formula: C8H12F3NO
Molecular Weight: 195.185
Synonyms: 4-Trifluoromethylcyclohexanecarboxamide;4-Trifluoromethylcyclohexanecarboxylic acid amide;
Density: 1.236 g/cm3
Boiling Point: 270.253 °C at 760 mmHg
Flash Point: 117.245 °C
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Specification

The Cyclohexanecarboxamide, 4-(trifluoromethyl)-, with the CAS registry number 361393-84-2, is also known as 4-Trifluoromethylcyclohexanecarboxylic acid amide. This chemical's molecular formula is C8H12F3NO and molecular weight is 195.1822. What's more, its systematic name is 4-Trifluoromethylcyclohexanecarboxamide.

Physical properties about Cyclohexanecarboxamide, 4-(trifluoromethyl)- are: (1) ACD/LogP: 1.13; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0; (4) ACD/LogD (pH 7.4): 0; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 36; (8) ACD/KOC (pH 7.4): 36; (9) #H bond acceptors: 2; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 43.09 Å2; (13) Index of Refraction: 1.427; (14) Molar Refractivity: 40.566 cm3; (15) Molar Volume: 157.943 cm3; (16) Polarizability: 16.082×10-24 cm3; (17) Surface Tension: 31.907 dyne/cm; (18) Density: 1.236 g/cm3; (19) Flash Point: 117.245 °C; (20) Enthalpy of Vaporization: 50.842 kJ/mol; (21) Boiling Point: 270.253 °C at 760 mmHg; (22) Vapour Pressure: 0.007 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)C1CCC(CC1)C(N)=O
(2) InChI: InChI=1/C8H12F3NO/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h5-6H,1-4H2,(H2,12,13)
(3) InChIKey: ACALJSKNWMZZKL-UHFFFAOYAJ