2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane

C6H4F8O — CID 20738946

IUPAC2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane
SMILESCC(OC=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8O/c1-4(5(9,10)11,6(12,13)14)15-2-3(7)8/h2H,1H3
InChIKeyNZZNKTRDYSANIL-UHFFFAOYSA-N
MW244.08 g/mol
LogP3.62
Rot. Bonds2

About 2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane

2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane (PubChem CID 20738946) has the molecular formula C6H4F8O and a molecular weight of 244.08 g/mol. Its IUPAC name is 2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane.

Molecular Properties

Compound Name2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane
PubChem CID20738946
Molecular FormulaC6H4F8O
Molecular Weight244.08 g/mol
Exact Mass244.01
IUPAC Name2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane
SMILESCC(OC=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8O/c1-4(5(9,10)11,6(12,13)14)15-2-3(7)8/h2H,1H3
InChIKeyNZZNKTRDYSANIL-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane?
The IUPAC name of 2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane (CID 20738946) is 2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane.
What is the SMILES notation for 2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane?
The canonical SMILES for 2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane is CC(OC=C(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane?
The InChIKey is NZZNKTRDYSANIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8O/c1-4(5(9,10)11,6(12,13)14)15-2-3(7)8/h2H,1H3.
What are the key properties of 2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane?
2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane has a molecular weight of 244.08 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane is sourced from PubChem (CID 20738946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).