1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane

C4H4F6O — CID 12009929

IUPAC1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane
SMILESFC(F)COC(F)(F)C(F)F
InChIInChI=1S/C4H4F6O/c5-2(6)1-11-4(9,10)3(7)8/h2-3H,1H2
InChIKeyXYUTZEMBPIRNFA-UHFFFAOYSA-N
MW182.06 g/mol
LogP2.13
Rot. Bonds4

About 1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane

1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane (PubChem CID 12009929) has the molecular formula C4H4F6O and a molecular weight of 182.06 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane
PubChem CID12009929
Molecular FormulaC4H4F6O
Molecular Weight182.06 g/mol
Exact Mass182.02
IUPAC Name1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane
SMILESFC(F)COC(F)(F)C(F)F
InChIInChI=1S/C4H4F6O/c5-2(6)1-11-4(9,10)3(7)8/h2-3H,1H2
InChIKeyXYUTZEMBPIRNFA-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.06
LogP ≤ 52.13
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-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane?
The IUPAC name of 1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane (CID 12009929) is 1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane?
The canonical SMILES for 1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane is FC(F)COC(F)(F)C(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane?
The InChIKey is XYUTZEMBPIRNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O/c5-2(6)1-11-4(9,10)3(7)8/h2-3H,1H2.
What are the key properties of 1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane?
1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane has a molecular weight of 182.06 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-1,1,2,2-tetrafluoroethane is sourced from PubChem (CID 12009929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).