1,1,1,2,2-pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane

C5H3F9O2 — CID 175740134

IUPAC1,1,1,2,2-pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane
SMILESFC(OC(F)C(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9O2/c6-1(7)2(8)15-3(9)16-5(13,14)4(10,11)12/h1-3H
InChIKeyIKYNEFWRCWLEIA-UHFFFAOYSA-N
MW266.06 g/mol
LogP2.99
Rot. Bonds5

About 1,1,1,2,2-pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane

1,1,1,2,2-pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane (PubChem CID 175740134) has the molecular formula C5H3F9O2 and a molecular weight of 266.06 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane
PubChem CID175740134
Molecular FormulaC5H3F9O2
Molecular Weight266.06 g/mol
Exact Mass266.00
IUPAC Name1,1,1,2,2-pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane
SMILESFC(OC(F)C(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9O2/c6-1(7)2(8)15-3(9)16-5(13,14)4(10,11)12/h1-3H
InChIKeyIKYNEFWRCWLEIA-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane (CID 175740134) is 1,1,1,2,2-pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane is FC(OC(F)C(F)F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane?
The InChIKey is IKYNEFWRCWLEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9O2/c6-1(7)2(8)15-3(9)16-5(13,14)4(10,11)12/h1-3H.
What are the key properties of 1,1,1,2,2-pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane?
1,1,1,2,2-pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane has a molecular weight of 266.06 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-2-[fluoro(1,2,2-trifluoroethoxy)methoxy]ethane is sourced from PubChem (CID 175740134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).