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ACTIVE PHARMA INGREDIENTS

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Also known as: Oxycyte, 84808-64-0, Perfluoro[(tert-butyl)cyclohexane], Perfluoro t-butylcyclohexane, Perfluoro(tert-butylcyclohexane), Perfluoro(1,1-dimethylethyl)cyclohexane

Molecular Formula

C₁₀F₂₀

Molecular Weight

500.07 g/mol

InChI Key

VLTXBOGHSBHSAC-UHFFFAOYSA-N

FDA UNII

3ZX1Z33VUU

Oxycyte has been used in trials studying the treatment of Traumatic Brain Injury.

1 2D Structure

Perfluoro T-Butylcyclohexane

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclohexane

2.1.2 InChI

InChI=1S/C10F20/c11-2(1(8(22,23)24,9(25,26)27)10(28,29)30)3(12,13)5(16,17)7(20,21)6(18,19)4(2,14)15

2.1.3 InChI Key

VLTXBOGHSBHSAC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)F

2.2 Other Identifiers

2.2.1 UNII

3ZX1Z33VUU

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Oxycyte

2. Perfluoro(t-butylcyclohexane)

2.3.2 Depositor-Supplied Synonyms

1. Oxycyte

2. 84808-64-0

3. Perfluoro[(tert-butyl)cyclohexane]

4. Perfluoro T-butylcyclohexane

5. Perfluoro(tert-butylcyclohexane)

6. Perfluoro(1,1-dimethylethyl)cyclohexane

7. 3zx1z33vuu

8. Cyclohexane, Undecafluoro(2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl)-

9. 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclohexane

10. Cyclohexane, 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl)-

11. Unii-3zx1z33vuu

12. Schembl632514

13. Chembl4297413

14. Dtxsid70233868

15. Mfcd00153230

16. Zinc59270596

17. Db12477

18. Perfluoro T-butylcyclohexane [inci]

19. Q27258267

20. 1-[2-(trifluoromethyl)-1,1,1,3,3,3-hexafluoropropane-2-yl]undecafluorocyclohexane

21. [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)prop-2-yl](undecafluoro)cyclohexane,icosafluoro[(tert-butyl)cyclohexane]

2.4 Create Date

2007-02-12

3 Chemical and Physical Properties

Molecular Formula	C₁₀F₂₀
Molecular Weight	500.07 g/mol
XLogP3	7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	1
Exact Mass	499.9680632 g/mol
Monoisotopic Mass	499.9680632 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	618
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1