2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane

C8H10F8O2 — CID 15219188

IUPAC2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane
SMILESCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC
InChIInChI=1S/C8H10F8O2/c1-17-3-5(9,10)7(13,14)8(15,16)6(11,12)4-18-2/h3-4H2,1-2H3
InChIKeyFZTGUASPYMTAJF-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.82
Rot. Bonds7

About 2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane

2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane (PubChem CID 15219188) has the molecular formula C8H10F8O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane
PubChem CID15219188
Molecular FormulaC8H10F8O2
Molecular Weight290.15 g/mol
Exact Mass290.06
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane
SMILESCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC
InChIInChI=1S/C8H10F8O2/c1-17-3-5(9,10)7(13,14)8(15,16)6(11,12)4-18-2/h3-4H2,1-2H3
InChIKeyFZTGUASPYMTAJF-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.82
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 2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane (CID 15219188) is 2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane is COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane?
The InChIKey is FZTGUASPYMTAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8O2/c1-17-3-5(9,10)7(13,14)8(15,16)6(11,12)4-18-2/h3-4H2,1-2H3.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane?
2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane has a molecular weight of 290.15 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-1,6-dimethoxyhexane is sourced from PubChem (CID 15219188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).