1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane

C4H2F8O — CID 2775955

IUPAC1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane
SMILESFC(F)(F)COC(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F8O/c5-2(6,7)1-13-4(11,12)3(8,9)10/h1H2
InChIKeyZOMISZRVOJQGOT-UHFFFAOYSA-N
MW218.04 g/mol
LogP2.72
Rot. Bonds2

About 1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane

1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane (PubChem CID 2775955) has the molecular formula C4H2F8O and a molecular weight of 218.04 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane
PubChem CID2775955
Molecular FormulaC4H2F8O
Molecular Weight218.04 g/mol
Exact Mass218.00
IUPAC Name1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane
SMILESFC(F)(F)COC(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F8O/c5-2(6,7)1-13-4(11,12)3(8,9)10/h1H2
InChIKeyZOMISZRVOJQGOT-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane (CID 2775955) is 1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane is FC(F)(F)COC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane?
The InChIKey is ZOMISZRVOJQGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O/c5-2(6,7)1-13-4(11,12)3(8,9)10/h1H2.
What are the key properties of 1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane?
1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane has a molecular weight of 218.04 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane is sourced from PubChem (CID 2775955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).