[2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate

C7H10F2O6 — CID 22506457

IUPAC[2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate
SMILESO=C(CO)OCC(F)(F)COC(=O)CO
InChIInChI=1S/C7H10F2O6/c8-7(9,3-14-5(12)1-10)4-15-6(13)2-11/h10-11H,1-4H2
InChIKeyFCIUXKOKQNVZTR-UHFFFAOYSA-N
MW228.15 g/mol
LogP-1.31
Rot. Bonds6

About [2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate

[2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate (PubChem CID 22506457) has the molecular formula C7H10F2O6 and a molecular weight of 228.15 g/mol. Its IUPAC name is [2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate.

Molecular Properties

Compound Name[2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate
PubChem CID22506457
Molecular FormulaC7H10F2O6
Molecular Weight228.15 g/mol
Exact Mass228.04
IUPAC Name[2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate
SMILESO=C(CO)OCC(F)(F)COC(=O)CO
InChIInChI=1S/C7H10F2O6/c8-7(9,3-14-5(12)1-10)4-15-6(13)2-11/h10-11H,1-4H2
InChIKeyFCIUXKOKQNVZTR-UHFFFAOYSA-N
XLogP-1.31
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-acetyloxy-2,2-difluoropropyl) acetate
CID 59792531
2,2-difluorobutyl acetate
CID 58275605
ethane-1,2-diol;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate;methane
CID 163645846
bis(2,2,2-trifluoroethyl) decanedioate
CID 22271802
3-[4-(2-carboxy-2,2-difluoroethoxy)-4-oxobutanoyl]oxy-2,2-difluoropropanoic acid
CID 58616292
6-oxo-6-(2,2,2-trifluoroethoxy)hexanoate
CID 152751982
2,2-difluorobutyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 122498778
barium(2+);ethyl 2-hydroxyacetate;hydride
CID 173419911
2-chloroethyl 2-hydroxyacetate
CID 10034696
potassium;ethyl 2-hydroxyacetate;hydride
CID 174939573
(3-hydroxy-2,2-dimethylpropyl) 4,4,4-trifluorobutanoate
CID 162710728
disodium;hydride;2-(2-hydroxyacetyl)oxyacetic acid
CID 173165496

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate?
The IUPAC name of [2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate (CID 22506457) is [2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate.
What is the SMILES notation for [2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate?
The canonical SMILES for [2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate is O=C(CO)OCC(F)(F)COC(=O)CO.
What is the InChIKey of [2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate?
The InChIKey is FCIUXKOKQNVZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O6/c8-7(9,3-14-5(12)1-10)4-15-6(13)2-11/h10-11H,1-4H2.
What are the key properties of [2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate?
[2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate has a molecular weight of 228.15 g/mol, XLogP of -1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-3-(2-hydroxyacetyl)oxypropyl] 2-hydroxyacetate is sourced from PubChem (CID 22506457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).