MolPort-001-777-016

Synopsis, Chemistry

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Also known as: 133331-77-8, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane, Perfluorohexyloctane, 7vyx4elwqm, Perfluorohexyloctane [who-dd], 1,1,1,2,2,3,3,4,4,5,5,6,6,-tridecafluorotetradecane

Molecular Formula

C₁₄H₁₇F₁₃

Molecular Weight

432.26 g/mol

InChI Key

WRYIIOKOQSICTB-UHFFFAOYSA-N

FDA UNII

7VYX4ELWQM

1 2D Structure

MolPort-001-777-016

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane

2.1.2 InChI

InChI=1S/C14H17F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-8H2,1H3

2.1.3 InChI Key

WRYIIOKOQSICTB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

2.2 Other Identifiers

2.2.1 UNII

7VYX4ELWQM

2.3 Synonyms

2.3.1 MeSH Synonyms

1. F6h8 Cpd

2. Perfluorhexyl-octan

3. Perfluorohexyl-octan

4. Perfluorohexyloctane

2.3.2 Depositor-Supplied Synonyms

1. 133331-77-8

2. 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane

3. Perfluorohexyloctane

4. 7vyx4elwqm

5. Perfluorohexyloctane [who-dd]

6. 1,1,1,2,2,3,3,4,4,5,5,6,6,-tridecafluorotetradecane

7. 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane F 6h8

8. Tetradecane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-

9. Starbld0000620

10. Unii-7vyx4elwqm

11. 1-(tridecafluorohexyl)octane

12. Schembl890448

13. Dtxsid20440585

14. Mfcd07784188

15. Akos015911101

16. Zinc100046937

17. Bs-20913

18. Cs-0205555

19. A806597

20. J-006351

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₇F₁₃
Molecular Weight	432.26 g/mol
XLogP3	8.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	11
Exact Mass	432.1122666 g/mol
Monoisotopic Mass	432.1122666 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	464
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