3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane

C6H6F8O — CID 54448853

IUPAC3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane
SMILESCCOC(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c1-2-15-3(5(9,10)11)4(7,8)6(12,13)14/h3H,2H2,1H3
InChIKeyWTMNKDZLRIHYAL-UHFFFAOYSA-N
MW246.10 g/mol
LogP3.15
Rot. Bonds3

About 3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane

3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane (PubChem CID 54448853) has the molecular formula C6H6F8O and a molecular weight of 246.10 g/mol. Its IUPAC name is 3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane.

Molecular Properties

Compound Name3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane
PubChem CID54448853
Molecular FormulaC6H6F8O
Molecular Weight246.10 g/mol
Exact Mass246.03
IUPAC Name3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane
SMILESCCOC(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c1-2-15-3(5(9,10)11)4(7,8)6(12,13)14/h3H,2H2,1H3
InChIKeyWTMNKDZLRIHYAL-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 53.15
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 3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane?
The IUPAC name of 3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane (CID 54448853) is 3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane.
What is the SMILES notation for 3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane?
The canonical SMILES for 3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane is CCOC(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane?
The InChIKey is WTMNKDZLRIHYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O/c1-2-15-3(5(9,10)11)4(7,8)6(12,13)14/h3H,2H2,1H3.
What are the key properties of 3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane?
3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane has a molecular weight of 246.10 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane is sourced from PubChem (CID 54448853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).