1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane

C5H5F7O3 — CID 15219437

IUPAC1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane
SMILESCOCC(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C5H5F7O3/c1-13-2-3(6,7)14-5(11,12)15-4(8,9)10/h2H2,1H3
InChIKeySBZRDSSANRCWPM-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.33
Rot. Bonds5

About 1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane

1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane (PubChem CID 15219437) has the molecular formula C5H5F7O3 and a molecular weight of 246.08 g/mol. Its IUPAC name is 1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane.

Molecular Properties

Compound Name1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane
PubChem CID15219437
Molecular FormulaC5H5F7O3
Molecular Weight246.08 g/mol
Exact Mass246.01
IUPAC Name1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane
SMILESCOCC(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C5H5F7O3/c1-13-2-3(6,7)14-5(11,12)15-4(8,9)10/h2H2,1H3
InChIKeySBZRDSSANRCWPM-UHFFFAOYSA-N
XLogP2.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane?
The IUPAC name of 1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane (CID 15219437) is 1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane.
What is the SMILES notation for 1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane?
The canonical SMILES for 1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane is COCC(F)(F)OC(F)(F)OC(F)(F)F.
What is the InChIKey of 1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane?
The InChIKey is SBZRDSSANRCWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7O3/c1-13-2-3(6,7)14-5(11,12)15-4(8,9)10/h2H2,1H3.
What are the key properties of 1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane?
1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane has a molecular weight of 246.08 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane is sourced from PubChem (CID 15219437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).