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

C8H4F8O4 — CID 138667864

IUPAC4-(1,1,2,2,2-pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC(F)=C(F)F)(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C8H4F8O4/c9-3(4(10)11)1-19-6(2-18-5(17)20-6)7(12,13)8(14,15)16/h1-2H2
InChIKeyYTWMKDRINGWQGM-UHFFFAOYSA-N
MW316.10 g/mol
LogP3.14
Rot. Bonds4

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

4-(1,1,2,2,2-pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one (PubChem CID 138667864) has the molecular formula C8H4F8O4 and a molecular weight of 316.10 g/mol. Its IUPAC name is 4-(1,1,2,2,2-pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(1,1,2,2,2-pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
PubChem CID138667864
Molecular FormulaC8H4F8O4
Molecular Weight316.10 g/mol
Exact Mass316.00
IUPAC Name4-(1,1,2,2,2-pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
SMILESO=C1OCC(OCC(F)=C(F)F)(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C8H4F8O4/c9-3(4(10)11)1-19-6(2-18-5(17)20-6)7(12,13)8(14,15)16/h1-2H2
InChIKeyYTWMKDRINGWQGM-UHFFFAOYSA-N
XLogP3.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1,1,2,2,2-pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one with MolForge

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Related Compounds

4,5-Dimethyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667321
4-(2-Fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667804
4-(Trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667809
4-(3,3-Difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667810
4-(1,1,2,2,2-Pentafluoroethyl)-4-prop-2-enoxy-1,3-dioxolan-2-one
CID 138667820
4-(2,3,3-Trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667827
4-(3,3-Difluoroprop-2-enoxy)-4-ethyl-1,3-dioxolan-2-one
CID 138667832
4-Ethyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667835
4-(3,3-Difluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
CID 138667860
4-(2-Fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
CID 138667863
4-Propyl-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138668564
4-ethyl-4-[(E)-3,4,4,4-tetrafluorobut-2-enoxy]-1,3-dioxolan-2-one
CID 147711400

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,2-pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
The IUPAC name of 4-(1,1,2,2,2-pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one (CID 138667864) is 4-(1,1,2,2,2-pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(1,1,2,2,2-pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(1,1,2,2,2-pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one is O=C1OCC(OCC(F)=C(F)F)(C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 4-(1,1,2,2,2-pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
The InChIKey is YTWMKDRINGWQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F8O4/c9-3(4(10)11)1-19-6(2-18-5(17)20-6)7(12,13)8(14,15)16/h1-2H2.
What are the key properties of 4-(1,1,2,2,2-pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one?
4-(1,1,2,2,2-pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one has a molecular weight of 316.10 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,2-pentafluoroethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one is sourced from PubChem (CID 138667864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).