6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran

C11H12F8O2 — CID 14783027

IUPAC6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran
SMILESCCOC1C=CCC(C(F)(F)C(F)(F)C(F)(F)C(F)F)O1
InChIInChI=1S/C11H12F8O2/c1-2-20-7-5-3-4-6(21-7)9(14,15)11(18,19)10(16,17)8(12)13/h3,5-8H,2,4H2,1H3
InChIKeyMAPALEBSXNKZRB-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.87
Rot. Bonds6

About 6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran

6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran (PubChem CID 14783027) has the molecular formula C11H12F8O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran
PubChem CID14783027
Molecular FormulaC11H12F8O2
Molecular Weight328.20 g/mol
Exact Mass328.07
IUPAC Name6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran
SMILESCCOC1C=CCC(C(F)(F)C(F)(F)C(F)(F)C(F)F)O1
InChIInChI=1S/C11H12F8O2/c1-2-20-7-5-3-4-6(21-7)9(14,15)11(18,19)10(16,17)8(12)13/h3,5-8H,2,4H2,1H3
InChIKeyMAPALEBSXNKZRB-UHFFFAOYSA-N
XLogP3.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran (CID 14783027) is 6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran is CCOC1C=CCC(C(F)(F)C(F)(F)C(F)(F)C(F)F)O1.
What is the InChIKey of 6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran?
The InChIKey is MAPALEBSXNKZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F8O2/c1-2-20-7-5-3-4-6(21-7)9(14,15)11(18,19)10(16,17)8(12)13/h3,5-8H,2,4H2,1H3.
What are the key properties of 6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran?
6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran has a molecular weight of 328.20 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 14783027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).