1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane

C6H5F9O2 — CID 131973030

IUPAC1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane
SMILESCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)CF
InChIInChI=1S/C6H5F9O2/c1-3(8,9)16-5(12,13)6(14,15)17-4(10,11)2-7/h2H2,1H3
InChIKeyHTEGLKFQFHGTMA-UHFFFAOYSA-N
MW280.09 g/mol
LogP3.38
Rot. Bonds6

About 1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane

1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane (PubChem CID 131973030) has the molecular formula C6H5F9O2 and a molecular weight of 280.09 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane
PubChem CID131973030
Molecular FormulaC6H5F9O2
Molecular Weight280.09 g/mol
Exact Mass280.01
IUPAC Name1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane
SMILESCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)CF
InChIInChI=1S/C6H5F9O2/c1-3(8,9)16-5(12,13)6(14,15)17-4(10,11)2-7/h2H2,1H3
InChIKeyHTEGLKFQFHGTMA-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane?
The IUPAC name of 1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane (CID 131973030) is 1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane?
The canonical SMILES for 1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane is CC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)CF.
What is the InChIKey of 1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane?
The InChIKey is HTEGLKFQFHGTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9O2/c1-3(8,9)16-5(12,13)6(14,15)17-4(10,11)2-7/h2H2,1H3.
What are the key properties of 1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane?
1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane has a molecular weight of 280.09 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane is sourced from PubChem (CID 131973030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).