3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid

C10H16F2O5 — CID 19598267

IUPAC3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid
SMILESCCC1(CC)OCC(C(O)C(F)(F)C(=O)O)O1
InChIInChI=1S/C10H16F2O5/c1-3-9(4-2)16-5-6(17-9)7(13)10(11,12)8(14)15/h6-7,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyZBBQVWBUTBOEQA-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.00
Rot. Bonds5

About 3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid

3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid (PubChem CID 19598267) has the molecular formula C10H16F2O5 and a molecular weight of 254.23 g/mol. Its IUPAC name is 3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid
PubChem CID19598267
Molecular FormulaC10H16F2O5
Molecular Weight254.23 g/mol
Exact Mass254.10
IUPAC Name3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid
SMILESCCC1(CC)OCC(C(O)C(F)(F)C(=O)O)O1
InChIInChI=1S/C10H16F2O5/c1-3-9(4-2)16-5-6(17-9)7(13)10(11,12)8(14)15/h6-7,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyZBBQVWBUTBOEQA-UHFFFAOYSA-N
XLogP1.00
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid?
The IUPAC name of 3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid (CID 19598267) is 3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid?
The canonical SMILES for 3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid is CCC1(CC)OCC(C(O)C(F)(F)C(=O)O)O1.
What is the InChIKey of 3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid?
The InChIKey is ZBBQVWBUTBOEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O5/c1-3-9(4-2)16-5-6(17-9)7(13)10(11,12)8(14)15/h6-7,13H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid?
3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid has a molecular weight of 254.23 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diethyl-1,3-dioxolan-4-yl)-2,2-difluoro-3-hydroxypropanoic acid is sourced from PubChem (CID 19598267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).