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

C8H5F7O4 — CID 138667860

IUPAC4-(3,3-difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC=C(F)F)(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C8H5F7O4/c9-4(10)1-2-18-6(3-17-5(16)19-6)7(11,12)8(13,14)15/h1H,2-3H2
InChIKeyWIGFGXXIDFIBOX-UHFFFAOYSA-N
MW298.11 g/mol
LogP2.84
Rot. Bonds4

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

4-(3,3-difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one (PubChem CID 138667860) has the molecular formula C8H5F7O4 and a molecular weight of 298.11 g/mol. Its IUPAC name is 4-(3,3-difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(3,3-difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
PubChem CID138667860
Molecular FormulaC8H5F7O4
Molecular Weight298.11 g/mol
Exact Mass298.01
IUPAC Name4-(3,3-difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC=C(F)F)(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C8H5F7O4/c9-4(10)1-2-18-6(3-17-5(16)19-6)7(11,12)8(13,14)15/h1H,2-3H2
InChIKeyWIGFGXXIDFIBOX-UHFFFAOYSA-N
XLogP2.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 52.84
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-(3,3-difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(3,3-difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one (CID 138667860) is 4-(3,3-difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(3,3-difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(3,3-difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one is O=C1OCC(OCC=C(F)F)(C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 4-(3,3-difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one?
The InChIKey is WIGFGXXIDFIBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F7O4/c9-4(10)1-2-18-6(3-17-5(16)19-6)7(11,12)8(13,14)15/h1H,2-3H2.
What are the key properties of 4-(3,3-difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one?
4-(3,3-difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one has a molecular weight of 298.11 g/mol, XLogP of 2.84, 4 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)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 138667860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).