1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane

C5H3F9O2 — CID 11579838

IUPAC1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane
SMILESFC(OC(F)(F)F)C(F)(F)OCC(F)(F)F
InChIInChI=1S/C5H3F9O2/c6-2(16-5(12,13)14)4(10,11)15-1-3(7,8)9/h2H,1H2
InChIKeyREAPKXLKRKDDPJ-UHFFFAOYSA-N
MW266.06 g/mol
LogP2.99
Rot. Bonds4

About 1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane

1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane (PubChem CID 11579838) has the molecular formula C5H3F9O2 and a molecular weight of 266.06 g/mol. Its IUPAC name is 1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane
PubChem CID11579838
Molecular FormulaC5H3F9O2
Molecular Weight266.06 g/mol
Exact Mass266.00
IUPAC Name1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane
SMILESFC(OC(F)(F)F)C(F)(F)OCC(F)(F)F
InChIInChI=1S/C5H3F9O2/c6-2(16-5(12,13)14)4(10,11)15-1-3(7,8)9/h2H,1H2
InChIKeyREAPKXLKRKDDPJ-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane?
The IUPAC name of 1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane (CID 11579838) is 1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane.
What is the SMILES notation for 1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane?
The canonical SMILES for 1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane is FC(OC(F)(F)F)C(F)(F)OCC(F)(F)F.
What is the InChIKey of 1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane?
The InChIKey is REAPKXLKRKDDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9O2/c6-2(16-5(12,13)14)4(10,11)15-1-3(7,8)9/h2H,1H2.
What are the key properties of 1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane?
1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane has a molecular weight of 266.06 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethoxy)ethane is sourced from PubChem (CID 11579838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).