2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane

C6H5F7O — CID 73057715

IUPAC2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane
SMILESFC1(F)CC(C(F)(F)F)CC(F)(F)O1
InChIInChI=1S/C6H5F7O/c7-4(8)1-3(6(11,12)13)2-5(9,10)14-4/h3H,1-2H2
InChIKeyKBKLQRJKKJDTOO-UHFFFAOYSA-N
MW226.09 g/mol
LogP3.16
Rot. Bonds

About 2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane

2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane (PubChem CID 73057715) has the molecular formula C6H5F7O and a molecular weight of 226.09 g/mol. Its IUPAC name is 2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane.

Molecular Properties

Compound Name2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane
PubChem CID73057715
Molecular FormulaC6H5F7O
Molecular Weight226.09 g/mol
Exact Mass226.02
IUPAC Name2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane
SMILESFC1(F)CC(C(F)(F)F)CC(F)(F)O1
InChIInChI=1S/C6H5F7O/c7-4(8)1-3(6(11,12)13)2-5(9,10)14-4/h3H,1-2H2
InChIKeyKBKLQRJKKJDTOO-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane?
The IUPAC name of 2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane (CID 73057715) is 2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane.
What is the SMILES notation for 2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane?
The canonical SMILES for 2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane is FC1(F)CC(C(F)(F)F)CC(F)(F)O1.
What is the InChIKey of 2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane?
The InChIKey is KBKLQRJKKJDTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O/c7-4(8)1-3(6(11,12)13)2-5(9,10)14-4/h3H,1-2H2.
What are the key properties of 2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane?
2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane has a molecular weight of 226.09 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetrafluoro-4-(trifluoromethyl)oxane is sourced from PubChem (CID 73057715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).