4-(trifluoromethoxymethyl)-1,3-dioxol-2-one

C5H3F3O4 — CID 153312386

IUPAC4-(trifluoromethoxymethyl)-1,3-dioxol-2-one
SMILESO=c1occ(COC(F)(F)F)o1
InChIInChI=1S/C5H3F3O4/c6-5(7,8)11-2-3-1-10-4(9)12-3/h1H,2H2
InChIKeyXRGLQOYIYCJUKJ-UHFFFAOYSA-N
MW184.07 g/mol
LogP1.27
Rot. Bonds2

About 4-(trifluoromethoxymethyl)-1,3-dioxol-2-one

4-(trifluoromethoxymethyl)-1,3-dioxol-2-one (PubChem CID 153312386) has the molecular formula C5H3F3O4 and a molecular weight of 184.07 g/mol. Its IUPAC name is 4-(trifluoromethoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(trifluoromethoxymethyl)-1,3-dioxol-2-one
PubChem CID153312386
Molecular FormulaC5H3F3O4
Molecular Weight184.07 g/mol
Exact Mass184.00
IUPAC Name4-(trifluoromethoxymethyl)-1,3-dioxol-2-one
SMILESO=c1occ(COC(F)(F)F)o1
InChIInChI=1S/C5H3F3O4/c6-5(7,8)11-2-3-1-10-4(9)12-3/h1H,2H2
InChIKeyXRGLQOYIYCJUKJ-UHFFFAOYSA-N
XLogP1.27
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(trifluoromethoxymethyl)-1,3-dioxol-2-one (CID 153312386) is 4-(trifluoromethoxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(trifluoromethoxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(trifluoromethoxymethyl)-1,3-dioxol-2-one is O=c1occ(COC(F)(F)F)o1.
What is the InChIKey of 4-(trifluoromethoxymethyl)-1,3-dioxol-2-one?
The InChIKey is XRGLQOYIYCJUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3O4/c6-5(7,8)11-2-3-1-10-4(9)12-3/h1H,2H2.
What are the key properties of 4-(trifluoromethoxymethyl)-1,3-dioxol-2-one?
4-(trifluoromethoxymethyl)-1,3-dioxol-2-one has a molecular weight of 184.07 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 153312386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).