2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol

C4H4F6O2 — CID 22922914

IUPAC2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol
SMILESOC(OC(F)(F)C(F)F)C(F)F
InChIInChI=1S/C4H4F6O2/c5-1(6)2(11)12-4(9,10)3(7)8/h1-3,11H
InChIKeyMLFZTQGNBYMWBH-UHFFFAOYSA-N
MW198.06 g/mol
LogP1.44
Rot. Bonds4

About 2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol

2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol (PubChem CID 22922914) has the molecular formula C4H4F6O2 and a molecular weight of 198.06 g/mol. Its IUPAC name is 2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol
PubChem CID22922914
Molecular FormulaC4H4F6O2
Molecular Weight198.06 g/mol
Exact Mass198.01
IUPAC Name2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol
SMILESOC(OC(F)(F)C(F)F)C(F)F
InChIInChI=1S/C4H4F6O2/c5-1(6)2(11)12-4(9,10)3(7)8/h1-3,11H
InChIKeyMLFZTQGNBYMWBH-UHFFFAOYSA-N
XLogP1.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.06
LogP ≤ 51.44
H-Bond Donors ≤ 51
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 2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol?
The IUPAC name of 2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol (CID 22922914) is 2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol?
The canonical SMILES for 2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol is OC(OC(F)(F)C(F)F)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol?
The InChIKey is MLFZTQGNBYMWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O2/c5-1(6)2(11)12-4(9,10)3(7)8/h1-3,11H.
What are the key properties of 2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol?
2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol has a molecular weight of 198.06 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1,1,2,2-tetrafluoroethoxy)ethanol is sourced from PubChem (CID 22922914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).