4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine

C6F10O2 — CID 87292869

IUPAC4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine
SMILESFC1=C(F)C(F)(F)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C6F10O2/c7-1-2(8)17-4(5(11,12)13,6(14,15)16)18-3(1,9)10
InChIKeyPXLFYOQNVSXJTQ-UHFFFAOYSA-N
MW294.04 g/mol
LogP3.56
Rot. Bonds

About 4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine

4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine (PubChem CID 87292869) has the molecular formula C6F10O2 and a molecular weight of 294.04 g/mol. Its IUPAC name is 4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine.

Molecular Properties

Compound Name4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine
PubChem CID87292869
Molecular FormulaC6F10O2
Molecular Weight294.04 g/mol
Exact Mass293.97
IUPAC Name4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine
SMILESFC1=C(F)C(F)(F)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C6F10O2/c7-1-2(8)17-4(5(11,12)13,6(14,15)16)18-3(1,9)10
InChIKeyPXLFYOQNVSXJTQ-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine?
The IUPAC name of 4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine (CID 87292869) is 4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine.
What is the SMILES notation for 4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine?
The canonical SMILES for 4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine is FC1=C(F)C(F)(F)OC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine?
The InChIKey is PXLFYOQNVSXJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10O2/c7-1-2(8)17-4(5(11,12)13,6(14,15)16)18-3(1,9)10.
What are the key properties of 4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine?
4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine has a molecular weight of 294.04 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,6-tetrafluoro-2,2-bis(trifluoromethyl)-1,3-dioxine is sourced from PubChem (CID 87292869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).