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137644-54-3

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Basic Information
CAS No.: 137644-54-3
Name: 3,4,5- Trifluoro -1-[ trans-4'-( trans-4''-pentylcyclohexyl) -cyclohexyl ]benzene
Article Data: 3
Molecular Structure:
Molecular Structure of 137644-54-3 (3,4,5- Trifluoro -1-[ trans-4'-( trans-4''-pentylcyclohexyl) -cyclohexyl ]benzene)
Formula: C23H33F3
Molecular Weight: 366.51
Synonyms: Benzene,1,2,3-trifluoro-5-(4'-pentyl[1,1'-bicyclohexyl]-4-yl)-, [trans(trans)]-;CCP5FFF;
Density: 1.045 g/cm3
Melting Point: 85.0 to 89.0 °C
Boiling Point: 410.2 °C at 760 mmHg
Flash Point: 234.1 °C
Appearance: cream
PSA: 0.00000
LogP: 7.76440
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Specification

The Benzene,1,2,3-trifluoro-5-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]- is an organic compound with the formula C23H33F3. The systematic name of this chemical is 4-pentyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexyl). With the CAS registry number 137644-54-3, it is also named as benzene, 1,2,3-trifluoro-5-(4'-pentyl[1,1'-bicyclohexyl]-4-yl)-.

Physical properties about Benzene,1,2,3-trifluoro-5-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]- are: (1)ACD/LogP: 9.92; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.92; (4)ACD/LogD (pH 7.4): 9.92; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5934265; (8)ACD/KOC (pH 7.4): 5934265; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.488; (11)Molar Refractivity: 101.03 cm3; (12)Molar Volume: 350.4 cm3; (13)Polarizability: 40.05×10-24cm3; (14)Surface Tension: 33.7 dyne/cm; (15)Density: 1.045 g/cm3; (16)Flash Point: 234.1 °C; (17)Enthalpy of Vaporization: 63.67 kJ/mol; (18)Boiling Point: 410.2 °C at 760 mmHg; (19)Vapour Pressure: 1.46E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(F)c1F)C2CCC(CC2)C3CCC(CC3)CCCCC
(2)InChI: InChI=1/C23H33F3/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h14-19H,2-13H2,1H3
(3)InChIKey: TXHFUCYJBLLNIG-UHFFFAOYAA