5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one

C5H4F4O3 — CID 23547103

IUPAC5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one
SMILESO=C1OC(C(F)CF)C(F)(F)O1
InChIInChI=1S/C5H4F4O3/c6-1-2(7)3-5(8,9)12-4(10)11-3/h2-3H,1H2
InChIKeyQZVYSVAEAMLFFH-UHFFFAOYSA-N
MW188.08 g/mol
LogP1.42
Rot. Bonds2

About 5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one

5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one (PubChem CID 23547103) has the molecular formula C5H4F4O3 and a molecular weight of 188.08 g/mol. Its IUPAC name is 5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one.

Molecular Properties

Compound Name5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one
PubChem CID23547103
Molecular FormulaC5H4F4O3
Molecular Weight188.08 g/mol
Exact Mass188.01
IUPAC Name5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one
SMILESO=C1OC(C(F)CF)C(F)(F)O1
InChIInChI=1S/C5H4F4O3/c6-1-2(7)3-5(8,9)12-4(10)11-3/h2-3H,1H2
InChIKeyQZVYSVAEAMLFFH-UHFFFAOYSA-N
XLogP1.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.08
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one?
The IUPAC name of 5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one (CID 23547103) is 5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one.
What is the SMILES notation for 5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one?
The canonical SMILES for 5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one is O=C1OC(C(F)CF)C(F)(F)O1.
What is the InChIKey of 5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one?
The InChIKey is QZVYSVAEAMLFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4O3/c6-1-2(7)3-5(8,9)12-4(10)11-3/h2-3H,1H2.
What are the key properties of 5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one?
5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one has a molecular weight of 188.08 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-difluoroethyl)-4,4-difluoro-1,3-dioxolan-2-one is sourced from PubChem (CID 23547103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).