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

C9H5F11O3 — CID 122609882

IUPAC4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C9H5F11O3/c10-5(11,1-3-2-22-4(21)23-3)6(12,13)7(14,15)8(16,17)9(18,19)20/h3H,1-2H2
InChIKeyMFORPSFHHLEZAY-UHFFFAOYSA-N
MW370.11 g/mol
LogP4.02
Rot. Bonds5

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

4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)-1,3-dioxolan-2-one (PubChem CID 122609882) has the molecular formula C9H5F11O3 and a molecular weight of 370.11 g/mol. Its IUPAC name is 4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)-1,3-dioxolan-2-one
PubChem CID122609882
Molecular FormulaC9H5F11O3
Molecular Weight370.11 g/mol
Exact Mass370.01
IUPAC Name4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C9H5F11O3/c10-5(11,1-3-2-22-4(21)23-3)6(12,13)7(14,15)8(16,17)9(18,19)20/h3H,1-2H2
InChIKeyMFORPSFHHLEZAY-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.11
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)-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-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)-1,3-dioxolan-2-one (CID 122609882) is 4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)-1,3-dioxolan-2-one is O=C1OCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)-1,3-dioxolan-2-one?
The InChIKey is MFORPSFHHLEZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F11O3/c10-5(11,1-3-2-22-4(21)23-3)6(12,13)7(14,15)8(16,17)9(18,19)20/h3H,1-2H2.
What are the key properties of 4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)-1,3-dioxolan-2-one?
4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)-1,3-dioxolan-2-one has a molecular weight of 370.11 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 122609882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).