2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane

C12H5F19O3 — CID 87749334

IUPAC2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane
SMILESCCOC(F)(C(F)(F)C(F)(F)F)C(F)(OC(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C12H5F19O3/c1-2-32-6(19,5(17,18)9(22,23)24)8(21,10(25,26)27)34-12(30,31)7(20)3(13,14)4(15,16)11(28,29)33-7/h2H2,1H3
InChIKeyULIUKOVDWGQQPK-UHFFFAOYSA-N
MW558.13 g/mol
LogP6.28
Rot. Bonds7

About 2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane

2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane (PubChem CID 87749334) has the molecular formula C12H5F19O3 and a molecular weight of 558.13 g/mol. Its IUPAC name is 2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane.

Molecular Properties

Compound Name2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane
PubChem CID87749334
Molecular FormulaC12H5F19O3
Molecular Weight558.13 g/mol
Exact Mass557.99
IUPAC Name2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane
SMILESCCOC(F)(C(F)(F)C(F)(F)F)C(F)(OC(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C12H5F19O3/c1-2-32-6(19,5(17,18)9(22,23)24)8(21,10(25,26)27)34-12(30,31)7(20)3(13,14)4(15,16)11(28,29)33-7/h2H2,1H3
InChIKeyULIUKOVDWGQQPK-UHFFFAOYSA-N
XLogP6.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.13
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane?
The IUPAC name of 2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane (CID 87749334) is 2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane.
What is the SMILES notation for 2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane?
The canonical SMILES for 2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane is CCOC(F)(C(F)(F)C(F)(F)F)C(F)(OC(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane?
The InChIKey is ULIUKOVDWGQQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F19O3/c1-2-32-6(19,5(17,18)9(22,23)24)8(21,10(25,26)27)34-12(30,31)7(20)3(13,14)4(15,16)11(28,29)33-7/h2H2,1H3.
What are the key properties of 2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane?
2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane has a molecular weight of 558.13 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-1,1,1,2,3,4,4,5,5,5-decafluoropentan-2-yl)oxy-difluoromethyl]-2,3,3,4,4,5,5-heptafluorooxolane is sourced from PubChem (CID 87749334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).