2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole

C4F6O2 — CID 11790069

IUPAC2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole
SMILESFC1=C(C(F)(F)F)OC(F)(F)O1
InChIInChI=1S/C4F6O2/c5-2-1(3(6,7)8)11-4(9,10)12-2
InChIKeySUXBNWYMTAXHDY-UHFFFAOYSA-N
MW194.03 g/mol
LogP2.28
Rot. Bonds

About 2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole

2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole (PubChem CID 11790069) has the molecular formula C4F6O2 and a molecular weight of 194.03 g/mol. Its IUPAC name is 2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole
PubChem CID11790069
Molecular FormulaC4F6O2
Molecular Weight194.03 g/mol
Exact Mass193.98
IUPAC Name2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole
SMILESFC1=C(C(F)(F)F)OC(F)(F)O1
InChIInChI=1S/C4F6O2/c5-2-1(3(6,7)8)11-4(9,10)12-2
InChIKeySUXBNWYMTAXHDY-UHFFFAOYSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.03
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole (CID 11790069) is 2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole is FC1=C(C(F)(F)F)OC(F)(F)O1.
What is the InChIKey of 2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole?
The InChIKey is SUXBNWYMTAXHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6O2/c5-2-1(3(6,7)8)11-4(9,10)12-2.
What are the key properties of 2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole?
2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole has a molecular weight of 194.03 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 11790069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).