2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol

C17H12F24O6 — CID 59628152

IUPAC2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol
SMILESCC(C(F)(F)OC(F)(CO)C(F)(F)C(F)(F)F)(C(F)(F)OC(F)(CO)C(F)(F)C(F)(F)F)C(F)(F)OC(F)(CO)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H12F24O6/c1-5(15(36,37)45-6(18,2-42)9(21,22)12(27,28)29,16(38,39)46-7(19,3-43)10(23,24)13(30,31)32)17(40,41)47-8(20,4-44)11(25,26)14(33,34)35/h42-44H,2-4H2,1H3
InChIKeyFXRLGBHEMYSTMK-UHFFFAOYSA-N
MW768.23 g/mol
LogP6.39
Rot. Bonds15

About 2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol

2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol (PubChem CID 59628152) has the molecular formula C17H12F24O6 and a molecular weight of 768.23 g/mol. Its IUPAC name is 2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol.

Molecular Properties

Compound Name2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol
PubChem CID59628152
Molecular FormulaC17H12F24O6
Molecular Weight768.23 g/mol
Exact Mass768.03
IUPAC Name2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol
SMILESCC(C(F)(F)OC(F)(CO)C(F)(F)C(F)(F)F)(C(F)(F)OC(F)(CO)C(F)(F)C(F)(F)F)C(F)(F)OC(F)(CO)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H12F24O6/c1-5(15(36,37)45-6(18,2-42)9(21,22)12(27,28)29,16(38,39)46-7(19,3-43)10(23,24)13(30,31)32)17(40,41)47-8(20,4-44)11(25,26)14(33,34)35/h42-44H,2-4H2,1H3
InChIKeyFXRLGBHEMYSTMK-UHFFFAOYSA-N
XLogP6.39
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.23
LogP ≤ 56.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol?
The IUPAC name of 2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol (CID 59628152) is 2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol.
What is the SMILES notation for 2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol?
The canonical SMILES for 2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol is CC(C(F)(F)OC(F)(CO)C(F)(F)C(F)(F)F)(C(F)(F)OC(F)(CO)C(F)(F)C(F)(F)F)C(F)(F)OC(F)(CO)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol?
The InChIKey is FXRLGBHEMYSTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F24O6/c1-5(15(36,37)45-6(18,2-42)9(21,22)12(27,28)29,16(38,39)46-7(19,3-43)10(23,24)13(30,31)32)17(40,41)47-8(20,4-44)11(25,26)14(33,34)35/h42-44H,2-4H2,1H3.
What are the key properties of 2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol?
2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol has a molecular weight of 768.23 g/mol, XLogP of 6.39, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[difluoro-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxymethyl]-1,1,3,3-tetrafluoro-3-(2,3,3,4,4,4-hexafluoro-1-hydroxybutan-2-yl)oxy-2-methylpropoxy]-2,3,3,4,4,4-hexafluorobutan-1-ol is sourced from PubChem (CID 59628152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).