5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane

C7H8F8O — CID 19063451

IUPAC5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane
SMILESCCOCC(F)(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H8F8O/c1-2-16-3-5(9,10)6(11,12)4(8)7(13,14)15/h4H,2-3H2,1H3
InChIKeyRHUMEBDHTQXORT-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.19
Rot. Bonds5

About 5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane

5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane (PubChem CID 19063451) has the molecular formula C7H8F8O and a molecular weight of 260.12 g/mol. Its IUPAC name is 5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane.

Molecular Properties

Compound Name5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane
PubChem CID19063451
Molecular FormulaC7H8F8O
Molecular Weight260.12 g/mol
Exact Mass260.04
IUPAC Name5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane
SMILESCCOCC(F)(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H8F8O/c1-2-16-3-5(9,10)6(11,12)4(8)7(13,14)15/h4H,2-3H2,1H3
InChIKeyRHUMEBDHTQXORT-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.19
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 5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane?
The IUPAC name of 5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane (CID 19063451) is 5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane.
What is the SMILES notation for 5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane?
The canonical SMILES for 5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane is CCOCC(F)(F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane?
The InChIKey is RHUMEBDHTQXORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F8O/c1-2-16-3-5(9,10)6(11,12)4(8)7(13,14)15/h4H,2-3H2,1H3.
What are the key properties of 5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane?
5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane has a molecular weight of 260.12 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,1,1,2,3,3,4,4-octafluoropentane is sourced from PubChem (CID 19063451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).