1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane

C8H4F14O — CID 87337995

IUPAC1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane
SMILESFC(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C8H4F14O/c9-3(10,1-5(13,14)15)7(19,20)23-8(21,22)4(11,12)2-6(16,17)18/h1-2H2
InChIKeyOOWAARMDMOWGDJ-UHFFFAOYSA-N
MW382.09 g/mol
LogP5.36
Rot. Bonds6

About 1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane

1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane (PubChem CID 87337995) has the molecular formula C8H4F14O and a molecular weight of 382.09 g/mol. Its IUPAC name is 1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane.

Molecular Properties

Compound Name1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane
PubChem CID87337995
Molecular FormulaC8H4F14O
Molecular Weight382.09 g/mol
Exact Mass382.00
IUPAC Name1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane
SMILESFC(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C8H4F14O/c9-3(10,1-5(13,14)15)7(19,20)23-8(21,22)4(11,12)2-6(16,17)18/h1-2H2
InChIKeyOOWAARMDMOWGDJ-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.09
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane?
The IUPAC name of 1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane (CID 87337995) is 1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane.
What is the SMILES notation for 1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane?
The canonical SMILES for 1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane is FC(F)(F)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane?
The InChIKey is OOWAARMDMOWGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F14O/c9-3(10,1-5(13,14)15)7(19,20)23-8(21,22)4(11,12)2-6(16,17)18/h1-2H2.
What are the key properties of 1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane?
1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane has a molecular weight of 382.09 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,4,4,4-heptafluoro-1-(1,1,2,2,4,4,4-heptafluorobutoxy)butane is sourced from PubChem (CID 87337995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).