2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane

C13H10F16O4 — CID 15472345

IUPAC2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane
SMILESCC1(C)OCC(C(F)(F)C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C13H10F16O4/c1-6(2)30-3-4(31-6)7(15,16)5(14)32-13(28,29)9(19,11(23,24)25)33-12(26,27)8(17,18)10(20,21)22/h4-5H,3H2,1-2H3
InChIKeyWGGCCJCJWZCNAR-UHFFFAOYSA-N
MW534.19 g/mol
LogP5.71
Rot. Bonds8

About 2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane

2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane (PubChem CID 15472345) has the molecular formula C13H10F16O4 and a molecular weight of 534.19 g/mol. Its IUPAC name is 2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane
PubChem CID15472345
Molecular FormulaC13H10F16O4
Molecular Weight534.19 g/mol
Exact Mass534.03
IUPAC Name2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane
SMILESCC1(C)OCC(C(F)(F)C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C13H10F16O4/c1-6(2)30-3-4(31-6)7(15,16)5(14)32-13(28,29)9(19,11(23,24)25)33-12(26,27)8(17,18)10(20,21)22/h4-5H,3H2,1-2H3
InChIKeyWGGCCJCJWZCNAR-UHFFFAOYSA-N
XLogP5.71
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.19
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane (CID 15472345) is 2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane is CC1(C)OCC(C(F)(F)C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)O1.
What is the InChIKey of 2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane?
The InChIKey is WGGCCJCJWZCNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F16O4/c1-6(2)30-3-4(31-6)7(15,16)5(14)32-13(28,29)9(19,11(23,24)25)33-12(26,27)8(17,18)10(20,21)22/h4-5H,3H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane?
2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane has a molecular weight of 534.19 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]-1,3-dioxolane is sourced from PubChem (CID 15472345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).