4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one

C5H4F4O4 — CID 172751189

IUPAC4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one
SMILESO=C1OCC(OC(F)(F)C(F)F)O1
InChIInChI=1S/C5H4F4O4/c6-3(7)5(8,9)13-2-1-11-4(10)12-2/h2-3H,1H2
InChIKeyKJWNGVSBOGQNPY-UHFFFAOYSA-N
MW204.07 g/mol
LogP1.35
Rot. Bonds3

About 4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one

4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one (PubChem CID 172751189) has the molecular formula C5H4F4O4 and a molecular weight of 204.07 g/mol. Its IUPAC name is 4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one
PubChem CID172751189
Molecular FormulaC5H4F4O4
Molecular Weight204.07 g/mol
Exact Mass204.00
IUPAC Name4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one
SMILESO=C1OCC(OC(F)(F)C(F)F)O1
InChIInChI=1S/C5H4F4O4/c6-3(7)5(8,9)13-2-1-11-4(10)12-2/h2-3H,1H2
InChIKeyKJWNGVSBOGQNPY-UHFFFAOYSA-N
XLogP1.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Heptafluoropropyl)-1,3-dioxolane
CID 86154818
2-(Trifluoromethyl)-1,3-dioxolane
CID 3642049
4-(2,2,2-Trifluoroethoxy)-1,3-dioxolan-2-one
CID 89936258
2-(Trifluoromethyl)-4,4,5,5-tetrafluoro-1,3-dioxolane
CID 11264349
4,4,5,5-Tetrafluoro-2-methyl-1,3-dioxolane
CID 12846007
2-(1,1,2,2,2-Pentafluoroethyl)-1,3-dioxolane
CID 55255037
2-(2,2,3,3,3-Pentafluoropropyl)-1,3-dioxolane
CID 57793531
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-1,3-dioxolane
CID 57793601
2-[(2,2,4,5-Tetrafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate
CID 58330317
3-[(2,2,4,5-Tetrafluoro-1,3-dioxolan-4-yl)oxy]propyl carbonofluoridate
CID 58330328
2-[(2,2,4,5,5-Pentafluoro-1,3-dioxolan-4-yl)oxy]ethyl carbonofluoridate
CID 58330334
2-(1,1,2,3,3,3-Hexafluoropropoxymethyl)-1,3-dioxolane
CID 58420747

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one?
The IUPAC name of 4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one (CID 172751189) is 4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one is O=C1OCC(OC(F)(F)C(F)F)O1.
What is the InChIKey of 4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one?
The InChIKey is KJWNGVSBOGQNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4O4/c6-3(7)5(8,9)13-2-1-11-4(10)12-2/h2-3H,1H2.
What are the key properties of 4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one?
4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one has a molecular weight of 204.07 g/mol, XLogP of 1.35, 3 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-tetrafluoroethoxy)-1,3-dioxolan-2-one is sourced from PubChem (CID 172751189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).