4,4,5-trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane

C6F12O2 — CID 23183649

IUPAC4,4,5-trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)F
InChIInChI=1S/C6F12O2/c7-1(3(8,9)10)6(17,18)20-2(19-1,4(11,12)13)5(14,15)16
InChIKeyWHOWIMXPPCFGRA-UHFFFAOYSA-N
MW332.04 g/mol
LogP3.67
Rot. Bonds

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

4,4,5-trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane (PubChem CID 23183649) has the molecular formula C6F12O2 and a molecular weight of 332.04 g/mol. Its IUPAC name is 4,4,5-trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,4,5-trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane
PubChem CID23183649
Molecular FormulaC6F12O2
Molecular Weight332.04 g/mol
Exact Mass331.97
IUPAC Name4,4,5-trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)F
InChIInChI=1S/C6F12O2/c7-1(3(8,9)10)6(17,18)20-2(19-1,4(11,12)13)5(14,15)16
InChIKeyWHOWIMXPPCFGRA-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.04
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,4,5-trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane (CID 23183649) is 4,4,5-trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,4,5-trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,4,5-trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane is FC(F)(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)F.
What is the InChIKey of 4,4,5-trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane?
The InChIKey is WHOWIMXPPCFGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12O2/c7-1(3(8,9)10)6(17,18)20-2(19-1,4(11,12)13)5(14,15)16.
What are the key properties of 4,4,5-trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane?
4,4,5-trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane has a molecular weight of 332.04 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 23183649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).