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81793-56-8

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Basic Information
CAS No.: 81793-56-8
Name: 1,1'-Biphenyl, 4-fluoro-4'-(4-methylcyclohexyl)-, trans-
Molecular Structure:
Molecular Structure of 81793-56-8 (1,1'-Biphenyl, 4-fluoro-4'-(4-methylcyclohexyl)-, trans-)
Formula: C19H21F
Molecular Weight: 268.37
Synonyms: 4-Fluoro-4'-(trans-4-methylcyclohexyl)biphenyl;
Density: 1.032 g/cm3
Boiling Point: 372.719 °C at 760 mmHg
Flash Point: 194.737 °C
PSA: 0.00000
LogP: 5.78640
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Specification

The trans-4-Fluoro-4'-(4-methylcyclohexyl)-1,1'-biphenyl, with the CAS registry number of 81793-56-8, is also known as 4-Fluoro-4'-(trans-4-methylcyclohexyl)biphenyl. This chemical's molecular formula is C19H21F and molecular weight is 268.37. What's more, its systematic name is 1-Fluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene.

Physical properties about the trans-4-Fluoro-4'-(4-methylcyclohexyl)-1,1'-biphenyl are: (1)ACD/LogP: 7.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.075; (4)ACD/LogD (pH 7.4): 7.075; (5)ACD/BCF (pH 5.5): 140365.125; (6)ACD/BCF (pH 7.4): 140365.125; (7)ACD/KOC (pH 5.5): 168261.797; (8)ACD/KOC (pH 7.4): 168261.797; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 81.408 cm3; (15)Molar Volume: 260.124 cm3; (16)Surface Tension: 35.165 dyne/cm; (17)Density: 1.032 g/cm3; (18)Flash Point: 194.737 °C; (19)Enthalpy of Vaporization: 59.556 kJ/mol; (20)Boiling Point: 372.719 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:C[C@H]1CC[C@@H](CC1)c2ccc(cc2)c3ccc(cc3)F
(2) InChI:InChI=1/C19H21F/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(20)13-11-18/h6-15H,2-5H2,1H3/t14-,15-
(3) InChIKey:JGCPRBOTJBFMES-SHTZXODSBX