4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole

C5H2F6O3 — CID 172818547

IUPAC4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole
SMILESFC(F)(F)OC1=C(C(F)(F)F)OCO1
InChIInChI=1S/C5H2F6O3/c6-4(7,8)2-3(13-1-12-2)14-5(9,10)11/h1H2
InChIKeyTXDIBMFDMQAOBJ-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.26
Rot. Bonds1

About 4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole

4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole (PubChem CID 172818547) has the molecular formula C5H2F6O3 and a molecular weight of 224.06 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole
PubChem CID172818547
Molecular FormulaC5H2F6O3
Molecular Weight224.06 g/mol
Exact Mass223.99
IUPAC Name4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole
SMILESFC(F)(F)OC1=C(C(F)(F)F)OCO1
InChIInChI=1S/C5H2F6O3/c6-4(7,8)2-3(13-1-12-2)14-5(9,10)11/h1H2
InChIKeyTXDIBMFDMQAOBJ-UHFFFAOYSA-N
XLogP2.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole (CID 172818547) is 4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole is FC(F)(F)OC1=C(C(F)(F)F)OCO1.
What is the InChIKey of 4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole?
The InChIKey is TXDIBMFDMQAOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O3/c6-4(7,8)2-3(13-1-12-2)14-5(9,10)11/h1H2.
What are the key properties of 4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole?
4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole has a molecular weight of 224.06 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 172818547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).