2-(trifluoromethoxy)-1,3-dioxole

C4H3F3O3 — CID 22261296

IUPAC2-(trifluoromethoxy)-1,3-dioxole
SMILESFC(F)(F)OC1OC=CO1
InChIInChI=1S/C4H3F3O3/c5-4(6,7)10-3-8-1-2-9-3/h1-3H
InChIKeyQJSBHUWRXFBWOG-UHFFFAOYSA-N
MW156.06 g/mol
LogP1.32
Rot. Bonds1

About 2-(trifluoromethoxy)-1,3-dioxole

2-(trifluoromethoxy)-1,3-dioxole (PubChem CID 22261296) has the molecular formula C4H3F3O3 and a molecular weight of 156.06 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-1,3-dioxole.

Molecular Properties

Compound Name2-(trifluoromethoxy)-1,3-dioxole
PubChem CID22261296
Molecular FormulaC4H3F3O3
Molecular Weight156.06 g/mol
Exact Mass156.00
IUPAC Name2-(trifluoromethoxy)-1,3-dioxole
SMILESFC(F)(F)OC1OC=CO1
InChIInChI=1S/C4H3F3O3/c5-4(6,7)10-3-8-1-2-9-3/h1-3H
InChIKeyQJSBHUWRXFBWOG-UHFFFAOYSA-N
XLogP1.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-1,3-dioxole?
The IUPAC name of 2-(trifluoromethoxy)-1,3-dioxole (CID 22261296) is 2-(trifluoromethoxy)-1,3-dioxole.
What is the SMILES notation for 2-(trifluoromethoxy)-1,3-dioxole?
The canonical SMILES for 2-(trifluoromethoxy)-1,3-dioxole is FC(F)(F)OC1OC=CO1.
What is the InChIKey of 2-(trifluoromethoxy)-1,3-dioxole?
The InChIKey is QJSBHUWRXFBWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O3/c5-4(6,7)10-3-8-1-2-9-3/h1-3H.
What are the key properties of 2-(trifluoromethoxy)-1,3-dioxole?
2-(trifluoromethoxy)-1,3-dioxole has a molecular weight of 156.06 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-1,3-dioxole is sourced from PubChem (CID 22261296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).