4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one

C7H8F2O4 — CID 174066606

IUPAC4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC=CC(F)F)O1
InChIInChI=1S/C7H8F2O4/c8-5(9)2-1-3-11-6-4-12-7(10)13-6/h1-2,5-6H,3-4H2
InChIKeyWMRBOHFYXSZCSJ-UHFFFAOYSA-N
MW194.13 g/mol
LogP1.32
Rot. Bonds4

About 4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one

4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one (PubChem CID 174066606) has the molecular formula C7H8F2O4 and a molecular weight of 194.13 g/mol. Its IUPAC name is 4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one
PubChem CID174066606
Molecular FormulaC7H8F2O4
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC=CC(F)F)O1
InChIInChI=1S/C7H8F2O4/c8-5(9)2-1-3-11-6-4-12-7(10)13-6/h1-2,5-6H,3-4H2
InChIKeyWMRBOHFYXSZCSJ-UHFFFAOYSA-N
XLogP1.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one?
The IUPAC name of 4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one (CID 174066606) is 4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one is O=C1OCC(OCC=CC(F)F)O1.
What is the InChIKey of 4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one?
The InChIKey is WMRBOHFYXSZCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O4/c8-5(9)2-1-3-11-6-4-12-7(10)13-6/h1-2,5-6H,3-4H2.
What are the key properties of 4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one?
4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one has a molecular weight of 194.13 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorobut-2-enoxy)-1,3-dioxolan-2-one is sourced from PubChem (CID 174066606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).