4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one

C6H7F3O3 — CID 161112908

IUPAC4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(CF)C(CF)(CF)O1
InChIInChI=1S/C6H7F3O3/c7-1-4-6(2-8,3-9)12-5(10)11-4/h4H,1-3H2
InChIKeyUJXWXUYDBGIXJU-UHFFFAOYSA-N
MW184.11 g/mol
LogP1.17
Rot. Bonds3

About 4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one

4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one (PubChem CID 161112908) has the molecular formula C6H7F3O3 and a molecular weight of 184.11 g/mol. Its IUPAC name is 4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one
PubChem CID161112908
Molecular FormulaC6H7F3O3
Molecular Weight184.11 g/mol
Exact Mass184.03
IUPAC Name4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(CF)C(CF)(CF)O1
InChIInChI=1S/C6H7F3O3/c7-1-4-6(2-8,3-9)12-5(10)11-4/h4H,1-3H2
InChIKeyUJXWXUYDBGIXJU-UHFFFAOYSA-N
XLogP1.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one (CID 161112908) is 4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one is O=C1OC(CF)C(CF)(CF)O1.
What is the InChIKey of 4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is UJXWXUYDBGIXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O3/c7-1-4-6(2-8,3-9)12-5(10)11-4/h4H,1-3H2.
What are the key properties of 4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one?
4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 184.11 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-tris(fluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 161112908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).