CAS No.118164-50-4,TRANS,TRANS-4-(3,4-DIFLUOROPHENYL)-4''-ETHYL-BICYCLOHEXYL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	118164-50-4
Name:	TRANS,TRANS-4-(3,4-DIFLUOROPHENYL)-4''-ETHYL-BICYCLOHEXYL

Formula:	C₂₀H₂₈F₂
Molecular Weight:	306.439
Synonyms:	1,2-Difluoro-4-[trans-4-(trans-4-ethylcyclohexyl)cyclohexyl]benzene;4-[trans-4-(trans-4-Ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;trans-4-(3,4-Difluorophenyl)-trans-4'-ethylbicyclohexane;Benzene,4-(4'-ethyl[1,1'-bicyclohexyl]-4-yl)-1,2-difluoro-, [trans(trans)]-;
Density:	1.033 g/cm³
Melting Point:	51.0 to 54.0 °C
Boiling Point:	372 °C at 760 mmHg
Flash Point:	150.7 °C
PSA:	0.00000
LogP:	6.45500

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Specification

The trans,trans-4-(3,4-Difluorophenyl)-4''-ethylbicyclohexyl, with the CAS registry number 118164-50-4, is also known as 4-[trans-4-(trans-4-Ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene. This chemical's molecular formula is C₂₀H₂₈F₂ and formula weight is 306.43. What's more, its systematic name is called (1r,1'r,4R,4'R)-4-(3,4-Difluorophenyl)-4'-ethyl-1,1'-bi(cyclohexyl).

Physical properties about this chemical are: (1)ACD/LogP: 8.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.33; (4)ACD/LogD (pH 7.4): 8.33; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 806485.69; (8)ACD/KOC (pH 7.4): 806485.69; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.499; (13)Molar Refractivity: 87.14 cm³; (14)Molar Volume: 296.7 cm³; (15)Surface Tension: 34.3 dyne/cm; (16)Density: 1.032 g/cm³; (17)Flash Point: 150.7 °C; (18)Enthalpy of Vaporization: 59.47 kJ/mol; (19)Boiling Point: 372 °C at 760 mmHg; (20)Vapour Pressure: 2.13E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1F)[C@H]2CC[C@@H](CC2)[C@@H]3CC[C@H](CC3)CC
(2)InChI: InChI=1/C20H28F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h11-17H,2-10H2,1H3/t14-,15-,16-,17-
(3)InChIKey: WDECTZREPSJUQW-GARHLSDIBC