1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane

C14H6F24O — CID 87506465

IUPAC1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H6F24O/c15-3(16)9(27,28)11(31,32)5(19,20)1-7(23,24)13(35,36)39-14(37,38)8(25,26)2-6(21,22)12(33,34)10(29,30)4(17)18/h3-4H,1-2H2
InChIKeyJGWAGTNXBVHSNQ-UHFFFAOYSA-N
MW646.15 g/mol
LogP8.58
Rot. Bonds14

About 1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane

1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane (PubChem CID 87506465) has the molecular formula C14H6F24O and a molecular weight of 646.15 g/mol. Its IUPAC name is 1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane.

Molecular Properties

Compound Name1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane
PubChem CID87506465
Molecular FormulaC14H6F24O
Molecular Weight646.15 g/mol
Exact Mass646.00
IUPAC Name1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H6F24O/c15-3(16)9(27,28)11(31,32)5(19,20)1-7(23,24)13(35,36)39-14(37,38)8(25,26)2-6(21,22)12(33,34)10(29,30)4(17)18/h3-4H,1-2H2
InChIKeyJGWAGTNXBVHSNQ-UHFFFAOYSA-N
XLogP8.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.15
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane with MolForge

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Related Compounds

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CID 2775883
2,2,3,3,4,4,5,5-octafluoropentyl hypoiodite
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1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane
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tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)boranuide
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1,1,2,2,4,4-hexafluoro-1-(1,1,2,2,4,4-hexafluorobutoxy)butane
CID 87322712
2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
CID 134263886
1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane
CID 10018385
5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane
CID 14093190
CID 58700662
CID 58700662
bis(2,2,3,3,4,4,5,5-octafluoropentyl) butanedioate
CID 22373366
1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane
CID 134451384

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane?
The IUPAC name of 1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane (CID 87506465) is 1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane.
What is the SMILES notation for 1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane?
The canonical SMILES for 1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane is FC(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane?
The InChIKey is JGWAGTNXBVHSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F24O/c15-3(16)9(27,28)11(31,32)5(19,20)1-7(23,24)13(35,36)39-14(37,38)8(25,26)2-6(21,22)12(33,34)10(29,30)4(17)18/h3-4H,1-2H2.
What are the key properties of 1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane?
1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane has a molecular weight of 646.15 g/mol, XLogP of 8.58, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane is sourced from PubChem (CID 87506465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).