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CAS No.: | 22819-47-2 |
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Name: | CIS-1,1,2,2,3,4-HEXAFLUOROCYCLOBUTANE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C4H2F6 |
Molecular Weight: | 164.05 |
Synonyms: | (3R,4S)-1,1,2,2,3,4-Hexafluorocyclobutane; |
Density: | 1.49 g/cm3 |
Boiling Point: | 26.5 °C at 760 mmHg |
Hazard Symbols: | Xi |
PSA: | 0.00000 |
LogP: | 1.94680 |
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The Cyclobutane,1,1,2,2,3,4-hexafluoro-, (3R,4S)-rel-, with the CAS registry number of 22819-47-2, is also known as (3R,4S)-1,1,2,2,3,4-Hexafluorocyclobutane. This chemical's molecular formula is C4H2F6 and molecular weight is 164.05. What's more, its systematic name is (3R,4S)-1,1,2,2,3,4-Hexafluorocyclobutane.
Physical properties about the Cyclobutane,1,1,2,2,3,4-hexafluoro-, (3R,4S)-rel- are: (1)ACD/LogP: -0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.16; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.45; (8)ACD/KOC (pH 7.4): 19.45; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.278; (14)Molar Refractivity: 19.2 cm3; (15)Molar Volume: 109.8 cm3; (16)Surface Tension: 11.8 dyne/cm; (17)Density: 1.49 g/cm3; (18)Enthalpy of Vaporization: 26.12 kJ/mol; (19)Boiling Point: 26.5 °C at 760 mmHg; (20)Vapour Pressure: 721 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: F[C@H]1[C@@H](F)C(F)(F)C1(F)F
(2) InChI: InChI=1/C4H2F6/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2+
(3) InChIKey: LMSLTAIWOIYSGZ-XIXRPRMCBL