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1- (Perfluorohexyl) octane

CAT: 0127-PC7927-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
133331-77-8
Synonyms
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorotetradecane, 1- (Tridecafluorohex-1-yl) octane
MDL Number
MFCD07784188
Purity
97%
Smiles
CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Chemical Information

Perfluorohexyloctane

Perfluorohexyloctane is a fluoroalkane that is tetradecane in which all of the hydrogen atoms at positions 1, 2, 3, 4, 5, and 6 have been replaced by fluorine atoms. It is an ophthalmic solution used to treat the signs and symptoms of dry eye disease. It has a role as a nonionic surfactant and an ophthalmology drug. It is a fluoroalkane and a fluorohydrocarbon. It derives from a hydride of a tetradecane.

CAS Number133331-77-8
PubChem CID10477896
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane
Molecular FormulaC14H17F13
Molecular Weight432.26
XLogP8.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Heavy Atom Count27
Formal Charge0
Complexity464
SMILES
CCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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
InChIKey
WRYIIOKOQSICTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perfluorohexyloctane
CAS: 133331-77-8
CID: 10477896
Formula: C14H17F13
MW: 432.26
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight432.26
XLogP38.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Exact Mass432.1122666
Monoisotopic Mass432.1122666
Topological Polar Surface Area0 Ų
Heavy Atom Count27
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-2557591- (Perfluorohexyl) octane
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TRC-P286325-250MG(Perfluorohexyl)acetic Acid
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