(Q81985958)

English

1-(perfluorohexyl)octane

chemical compound

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

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Statements

type of chemical entity

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per- and polyfluoroalkyl substances

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chemical structure

1-(Perfluorohexyl)octane.svg
512 × 129; 3 KB

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432.112267404 dalton

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based on heuristic

inferred from InChI

chemical formula

C₁₄H₁₇F₁₃

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canonical SMILES

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

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Identifiers

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

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WRYIIOKOQSICTB-UHFFFAOYSA-N

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CAS Registry Number

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WRYIIOKOQSICTB-UHFFFAOYSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=133331-77-8

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matched by identifier from

WRYIIOKOQSICTB-UHFFFAOYSA-N

mapping relation type

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matched by identifier from

International Chemical Identifier

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 references

based on heuristic

inferred from InChIKey

matched by identifier from

WRYIIOKOQSICTB-UHFFFAOYSA-N

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

WRYIIOKOQSICTB-UHFFFAOYSA-N

DSSTOX compound identifier

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matched by identifier from

WRYIIOKOQSICTB-UHFFFAOYSA-N

Human Metabolome Database ID

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based on heuristic

inferred from InChIKey

matched by identifier from

WRYIIOKOQSICTB-UHFFFAOYSA-N

1 reference

matched by identifier from

WRYIIOKOQSICTB-UHFFFAOYSA-N

Probes And Drugs ID

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WikiProjectMed ID

Perfluorohexyloctane

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Sitelinks

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