3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol

C11H20F4O8 — CID 59434575

IUPAC3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol
SMILESOCC(O)COCOCOC(F)(F)C(F)(F)COCC(O)CO
InChIInChI=1S/C11H20F4O8/c12-10(13,5-20-3-8(18)1-16)11(14,15)23-7-22-6-21-4-9(19)2-17/h8-9,16-19H,1-7H2
InChIKeyRRCCLUCIWKJOPR-UHFFFAOYSA-N
MW356.27 g/mol
LogP-1.10
Rot. Bonds14

About 3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol

3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol (PubChem CID 59434575) has the molecular formula C11H20F4O8 and a molecular weight of 356.27 g/mol. Its IUPAC name is 3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol
PubChem CID59434575
Molecular FormulaC11H20F4O8
Molecular Weight356.27 g/mol
Exact Mass356.11
IUPAC Name3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol
SMILESOCC(O)COCOCOC(F)(F)C(F)(F)COCC(O)CO
InChIInChI=1S/C11H20F4O8/c12-10(13,5-20-3-8(18)1-16)11(14,15)23-7-22-6-21-4-9(19)2-17/h8-9,16-19H,1-7H2
InChIKeyRRCCLUCIWKJOPR-UHFFFAOYSA-N
XLogP-1.10
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
(2R)-3-(2,2,3,3,4,4,4-heptafluorobutoxy)propane-1,2-diol
CID 95757053
3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol
CID 14909231
3-[2-[2-[2-[3-[2-[2-[2-(2,3-dihydroxypropoxy)-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]propane-1,2-diol
CID 169009146
3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol
CID 21136336
3-[3-(2,3-dihydroxypropoxy)-2-[[3-(2,3-dihydroxypropoxy)-2,2-bis(2,3-dihydroxypropoxymethyl)propoxy]methyl]-2-(2,3-dihydroxypropoxymethyl)propoxy]propane-1,2-diol
CID 137404860
3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol
CID 112758141
1,3-bis(2,2,3,3,4,4,4-heptafluorobutoxy)propan-2-ol
CID 98454538
3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol
CID 174900161
1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol
CID 169009122
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol
CID 18991200

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol?
The IUPAC name of 3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol (CID 59434575) is 3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol.
What is the SMILES notation for 3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol?
The canonical SMILES for 3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol is OCC(O)COCOCOC(F)(F)C(F)(F)COCC(O)CO.
What is the InChIKey of 3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol?
The InChIKey is RRCCLUCIWKJOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F4O8/c12-10(13,5-20-3-8(18)1-16)11(14,15)23-7-22-6-21-4-9(19)2-17/h8-9,16-19H,1-7H2.
What are the key properties of 3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol?
3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol has a molecular weight of 356.27 g/mol, XLogP of -1.10, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydroxypropoxymethoxymethoxy)-2,2,3,3-tetrafluoropropoxy]propane-1,2-diol is sourced from PubChem (CID 59434575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).