[2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol

C4H5F5O3 — CID 23379719

IUPAC[2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol
SMILESOC(F)(F)OCC(F)(F)OCF
InChIInChI=1S/C4H5F5O3/c5-2-12-3(6,7)1-11-4(8,9)10/h10H,1-2H2
InChIKeyXKVZYWPCJVRDRR-UHFFFAOYSA-N
MW196.07 g/mol
LogP1.08
Rot. Bonds5

About [2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol

[2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol (PubChem CID 23379719) has the molecular formula C4H5F5O3 and a molecular weight of 196.07 g/mol. Its IUPAC name is [2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol.

Molecular Properties

Compound Name[2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol
PubChem CID23379719
Molecular FormulaC4H5F5O3
Molecular Weight196.07 g/mol
Exact Mass196.02
IUPAC Name[2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol
SMILESOC(F)(F)OCC(F)(F)OCF
InChIInChI=1S/C4H5F5O3/c5-2-12-3(6,7)1-11-4(8,9)10/h10H,1-2H2
InChIKeyXKVZYWPCJVRDRR-UHFFFAOYSA-N
XLogP1.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.07
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-1,1-difluorobutane
CID 59966875
1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane
CID 58114569
fluoromethane;1,1,2-trifluoro-1-(fluoromethoxy)ethane;1,2,2-trifluoropropane
CID 91351347
1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 88857732
2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride
CID 59008596
2-[2,2-difluoro-2-(fluoromethoxy)ethoxy]ethyl 2-methylbutanoate
CID 168734514
1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane
CID 11805140
1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane
CID 58602209
difluoro(fluoromethoxy)methanesulfonic acid
CID 126576986
2-[difluoro(fluoromethoxy)methyl]-1,1,1,3,3,3-hexafluoropropane
CID 44582441
2,2,3,3,3-pentakis(fluoromethoxy)propanoic acid;hydrofluoride
CID 87449319
bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane
CID 158390889

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol?
The IUPAC name of [2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol (CID 23379719) is [2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol.
What is the SMILES notation for [2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol?
The canonical SMILES for [2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol is OC(F)(F)OCC(F)(F)OCF.
What is the InChIKey of [2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol?
The InChIKey is XKVZYWPCJVRDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5O3/c5-2-12-3(6,7)1-11-4(8,9)10/h10H,1-2H2.
What are the key properties of [2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol?
[2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol has a molecular weight of 196.07 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-2-(fluoromethoxy)ethoxy]-difluoromethanol is sourced from PubChem (CID 23379719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).