3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol

C6H12F2O4 — CID 21136336

IUPAC3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol
SMILESCOC(F)(F)COCC(O)CO
InChIInChI=1S/C6H12F2O4/c1-11-6(7,8)4-12-3-5(10)2-9/h5,9-10H,2-4H2,1H3
InChIKeyWLQHBPDOTZEGQL-UHFFFAOYSA-N
MW186.15 g/mol
LogP-0.40
Rot. Bonds6

About 3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol

3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol (PubChem CID 21136336) has the molecular formula C6H12F2O4 and a molecular weight of 186.15 g/mol. Its IUPAC name is 3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol
PubChem CID21136336
Molecular FormulaC6H12F2O4
Molecular Weight186.15 g/mol
Exact Mass186.07
IUPAC Name3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol
SMILESCOC(F)(F)COCC(O)CO
InChIInChI=1S/C6H12F2O4/c1-11-6(7,8)4-12-3-5(10)2-9/h5,9-10H,2-4H2,1H3
InChIKeyWLQHBPDOTZEGQL-UHFFFAOYSA-N
XLogP-0.40
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-hydroxy-2-methylpropoxy)propane-1,2-diol
CID 174900161
(2R)-3-(2,2,3,3,4,4,4-heptafluorobutoxy)propane-1,2-diol
CID 95757053
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-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol
CID 18991200
3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol
CID 112758141
3-(2,3-dihydroxypropoxy)-2-methylpropane-1,2-diol
CID 56623238
3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol
CID 14909231
CID 162200906
CID 162200906
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
2,2-bis(2-hydroxybutoxymethyl)butan-1-ol;bis(3-(2-hydroxybutoxy)propane-1,2-diol)
CID 167586490
1,1-difluoro-2-(fluoromethoxy)-1-methoxyethane
CID 59991528

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol?
The IUPAC name of 3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol (CID 21136336) is 3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol?
The canonical SMILES for 3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol is COC(F)(F)COCC(O)CO.
What is the InChIKey of 3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol?
The InChIKey is WLQHBPDOTZEGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O4/c1-11-6(7,8)4-12-3-5(10)2-9/h5,9-10H,2-4H2,1H3.
What are the key properties of 3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol?
3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol has a molecular weight of 186.15 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol is sourced from PubChem (CID 21136336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).