4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one

C11H7F13O4 — CID 122602612

IUPAC4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C11H7F13O4/c12-6(13,3-26-1-4-2-27-5(25)28-4)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4H,1-3H2
InChIKeyFWFCPXOTXADMFA-UHFFFAOYSA-N
MW450.15 g/mol
LogP4.28
Rot. Bonds8

About 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one

4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one (PubChem CID 122602612) has the molecular formula C11H7F13O4 and a molecular weight of 450.15 g/mol. Its IUPAC name is 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one
PubChem CID122602612
Molecular FormulaC11H7F13O4
Molecular Weight450.15 g/mol
Exact Mass450.01
IUPAC Name4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C11H7F13O4/c12-6(13,3-26-1-4-2-27-5(25)28-4)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4H,1-3H2
InChIKeyFWFCPXOTXADMFA-UHFFFAOYSA-N
XLogP4.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.15
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one (CID 122602612) is 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one is O=C1OCC(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is FWFCPXOTXADMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F13O4/c12-6(13,3-26-1-4-2-27-5(25)28-4)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4H,1-3H2.
What are the key properties of 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one?
4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 450.15 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 122602612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).