2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole

C4HF5O3 — CID 59815219

IUPAC2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole
SMILESFC(F)(F)OC1=COC(F)(F)O1
InChIInChI=1S/C4HF5O3/c5-3(6,7)11-2-1-10-4(8,9)12-2/h1H
InChIKeyQFGPEHZJDJMRGK-UHFFFAOYSA-N
MW192.04 g/mol
LogP1.92
Rot. Bonds1

About 2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole

2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole (PubChem CID 59815219) has the molecular formula C4HF5O3 and a molecular weight of 192.04 g/mol. Its IUPAC name is 2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole.

Molecular Properties

Compound Name2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole
PubChem CID59815219
Molecular FormulaC4HF5O3
Molecular Weight192.04 g/mol
Exact Mass191.98
IUPAC Name2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole
SMILESFC(F)(F)OC1=COC(F)(F)O1
InChIInChI=1S/C4HF5O3/c5-3(6,7)11-2-1-10-4(8,9)12-2/h1H
InChIKeyQFGPEHZJDJMRGK-UHFFFAOYSA-N
XLogP1.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole?
The IUPAC name of 2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole (CID 59815219) is 2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole.
What is the SMILES notation for 2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole?
The canonical SMILES for 2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole is FC(F)(F)OC1=COC(F)(F)O1.
What is the InChIKey of 2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole?
The InChIKey is QFGPEHZJDJMRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF5O3/c5-3(6,7)11-2-1-10-4(8,9)12-2/h1H.
What are the key properties of 2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole?
2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole has a molecular weight of 192.04 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-(trifluoromethoxy)-1,3-dioxole is sourced from PubChem (CID 59815219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).