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

C6H6F2O4 — CID 138667828

IUPAC4-(3,3-difluoroprop-2-enoxy)-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC=C(F)F)O1
InChIInChI=1S/C6H6F2O4/c7-4(8)1-2-10-5-3-11-6(9)12-5/h1,5H,2-3H2
InChIKeyQXANCGOLUCXUGU-UHFFFAOYSA-N
MW180.11 g/mol
LogP1.28
Rot. Bonds3

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

4-(3,3-difluoroprop-2-enoxy)-1,3-dioxolan-2-one (PubChem CID 138667828) has the molecular formula C6H6F2O4 and a molecular weight of 180.11 g/mol. Its IUPAC name is 4-(3,3-difluoroprop-2-enoxy)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(3,3-difluoroprop-2-enoxy)-1,3-dioxolan-2-one
PubChem CID138667828
Molecular FormulaC6H6F2O4
Molecular Weight180.11 g/mol
Exact Mass180.02
IUPAC Name4-(3,3-difluoroprop-2-enoxy)-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC=C(F)F)O1
InChIInChI=1S/C6H6F2O4/c7-4(8)1-2-10-5-3-11-6(9)12-5/h1,5H,2-3H2
InChIKeyQXANCGOLUCXUGU-UHFFFAOYSA-N
XLogP1.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.11
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3,3-difluoroprop-2-enoxy)-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-(3,3-difluoroprop-2-enoxy)-1,3-dioxolan-2-one?
The IUPAC name of 4-(3,3-difluoroprop-2-enoxy)-1,3-dioxolan-2-one (CID 138667828) is 4-(3,3-difluoroprop-2-enoxy)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(3,3-difluoroprop-2-enoxy)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(3,3-difluoroprop-2-enoxy)-1,3-dioxolan-2-one is O=C1OCC(OCC=C(F)F)O1.
What is the InChIKey of 4-(3,3-difluoroprop-2-enoxy)-1,3-dioxolan-2-one?
The InChIKey is QXANCGOLUCXUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O4/c7-4(8)1-2-10-5-3-11-6(9)12-5/h1,5H,2-3H2.
What are the key properties of 4-(3,3-difluoroprop-2-enoxy)-1,3-dioxolan-2-one?
4-(3,3-difluoroprop-2-enoxy)-1,3-dioxolan-2-one has a molecular weight of 180.11 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoroprop-2-enoxy)-1,3-dioxolan-2-one is sourced from PubChem (CID 138667828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).