2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane

C5H4Cl2F6O2 — CID 14203788

IUPAC2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
SMILESFC(F)(F)COC(Cl)(Cl)OCC(F)(F)F
InChIInChI=1S/C5H4Cl2F6O2/c6-5(7,14-1-3(8,9)10)15-2-4(11,12)13/h1-2H2
InChIKeyQOTRYQYRSSAOJF-UHFFFAOYSA-N
MW280.98 g/mol
LogP3.23
Rot. Bonds4

About 2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane

2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane (PubChem CID 14203788) has the molecular formula C5H4Cl2F6O2 and a molecular weight of 280.98 g/mol. Its IUPAC name is 2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
PubChem CID14203788
Molecular FormulaC5H4Cl2F6O2
Molecular Weight280.98 g/mol
Exact Mass279.95
IUPAC Name2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
SMILESFC(F)(F)COC(Cl)(Cl)OCC(F)(F)F
InChIInChI=1S/C5H4Cl2F6O2/c6-5(7,14-1-3(8,9)10)15-2-4(11,12)13/h1-2H2
InChIKeyQOTRYQYRSSAOJF-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.98
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane?
The IUPAC name of 2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane (CID 14203788) is 2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane is FC(F)(F)COC(Cl)(Cl)OCC(F)(F)F.
What is the InChIKey of 2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane?
The InChIKey is QOTRYQYRSSAOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2F6O2/c6-5(7,14-1-3(8,9)10)15-2-4(11,12)13/h1-2H2.
What are the key properties of 2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane?
2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane has a molecular weight of 280.98 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane is sourced from PubChem (CID 14203788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).