2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol

C6H3F11O3 — CID 66573360

IUPAC2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol
SMILESOCC(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C6H3F11O3/c7-2(8,1-18)19-4(11,12)3(9,10)5(13,14)20-6(15,16)17/h18H,1H2
InChIKeyADFHLSYJQXYQSD-UHFFFAOYSA-N
MW332.07 g/mol
LogP2.95
Rot. Bonds6

About 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol

2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol (PubChem CID 66573360) has the molecular formula C6H3F11O3 and a molecular weight of 332.07 g/mol. Its IUPAC name is 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol
PubChem CID66573360
Molecular FormulaC6H3F11O3
Molecular Weight332.07 g/mol
Exact Mass331.99
IUPAC Name2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol
SMILESOCC(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C6H3F11O3/c7-2(8,1-18)19-4(11,12)3(9,10)5(13,14)20-6(15,16)17/h18H,1H2
InChIKeyADFHLSYJQXYQSD-UHFFFAOYSA-N
XLogP2.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.07
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol?
The IUPAC name of 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol (CID 66573360) is 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol.
What is the SMILES notation for 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol?
The canonical SMILES for 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol is OCC(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol?
The InChIKey is ADFHLSYJQXYQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11O3/c7-2(8,1-18)19-4(11,12)3(9,10)5(13,14)20-6(15,16)17/h18H,1H2.
What are the key properties of 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol?
2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol has a molecular weight of 332.07 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol is sourced from PubChem (CID 66573360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).