1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane

C7H3F13O — CID 22002811

IUPAC1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
SMILESCC(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F13O/c1-2(8,9)21-7(19,20)5(14,15)3(10,11)4(12,13)6(16,17)18/h1H3
InChIKeyOSBHOEYLLXMWFJ-UHFFFAOYSA-N
MW350.07 g/mol
LogP4.68
Rot. Bonds5

About 1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane

1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane (PubChem CID 22002811) has the molecular formula C7H3F13O and a molecular weight of 350.07 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
PubChem CID22002811
Molecular FormulaC7H3F13O
Molecular Weight350.07 g/mol
Exact Mass350.00
IUPAC Name1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
SMILESCC(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F13O/c1-2(8,9)21-7(19,20)5(14,15)3(10,11)4(12,13)6(16,17)18/h1H3
InChIKeyOSBHOEYLLXMWFJ-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.07
LogP ≤ 54.68
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 1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane?
The IUPAC name of 1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane (CID 22002811) is 1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane?
The canonical SMILES for 1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane is CC(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane?
The InChIKey is OSBHOEYLLXMWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F13O/c1-2(8,9)21-7(19,20)5(14,15)3(10,11)4(12,13)6(16,17)18/h1H3.
What are the key properties of 1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane?
1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane has a molecular weight of 350.07 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane is sourced from PubChem (CID 22002811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).