1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane

C6H6F8O2 — CID 14689852

IUPAC1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane
SMILESCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC
InChIInChI=1S/C6H6F8O2/c1-15-5(11,12)3(7,8)4(9,10)6(13,14)16-2/h1-2H3
InChIKeyGMBXHHYCLNZEOS-UHFFFAOYSA-N
MW262.10 g/mol
LogP2.74
Rot. Bonds5

About 1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane

1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane (PubChem CID 14689852) has the molecular formula C6H6F8O2 and a molecular weight of 262.10 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane
PubChem CID14689852
Molecular FormulaC6H6F8O2
Molecular Weight262.10 g/mol
Exact Mass262.02
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane
SMILESCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC
InChIInChI=1S/C6H6F8O2/c1-15-5(11,12)3(7,8)4(9,10)6(13,14)16-2/h1-2H3
InChIKeyGMBXHHYCLNZEOS-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane (CID 14689852) is 1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane is COC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane?
The InChIKey is GMBXHHYCLNZEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O2/c1-15-5(11,12)3(7,8)4(9,10)6(13,14)16-2/h1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane?
1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane has a molecular weight of 262.10 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-1,4-dimethoxybutane is sourced from PubChem (CID 14689852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).