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

C11H5F15O4 — CID 122602613

IUPAC4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C11H5F15O4/c12-5(13,6(14,15)8(18,19)10(22,23)24)7(16,17)9(20,21)11(25,26)29-2-3-1-28-4(27)30-3/h3H,1-2H2
InChIKeyAMFPLCHYZMCKCF-UHFFFAOYSA-N
MW486.13 g/mol
LogP4.87
Rot. Bonds8

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

4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-1,3-dioxolan-2-one (PubChem CID 122602613) has the molecular formula C11H5F15O4 and a molecular weight of 486.13 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-1,3-dioxolan-2-one
PubChem CID122602613
Molecular FormulaC11H5F15O4
Molecular Weight486.13 g/mol
Exact Mass485.99
IUPAC Name4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C11H5F15O4/c12-5(13,6(14,15)8(18,19)10(22,23)24)7(16,17)9(20,21)11(25,26)29-2-3-1-28-4(27)30-3/h3H,1-2H2
InChIKeyAMFPLCHYZMCKCF-UHFFFAOYSA-N
XLogP4.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.13
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-1,3-dioxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-1,3-dioxolan-2-one (CID 122602613) is 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-1,3-dioxolan-2-one is O=C1OCC(COC(F)(F)C(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-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is AMFPLCHYZMCKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F15O4/c12-5(13,6(14,15)8(18,19)10(22,23)24)7(16,17)9(20,21)11(25,26)29-2-3-1-28-4(27)30-3/h3H,1-2H2.
What are the key properties of 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-1,3-dioxolan-2-one?
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 486.13 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 122602613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).