2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

C10H16F2O6 — CID 91256816

IUPAC2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
SMILESCC1CC(F)C(F)(C(=O)O)OC1C(O)C(O)CO
InChIInChI=1S/C10H16F2O6/c1-4-2-6(11)10(12,9(16)17)18-8(4)7(15)5(14)3-13/h4-8,13-15H,2-3H2,1H3,(H,16,17)
InChIKeyZEEWEKSZYMBHLV-UHFFFAOYSA-N
MW270.23 g/mol
LogP-0.79
Rot. Bonds4

About 2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid (PubChem CID 91256816) has the molecular formula C10H16F2O6 and a molecular weight of 270.23 g/mol. Its IUPAC name is 2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid.

Molecular Properties

Compound Name2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
PubChem CID91256816
Molecular FormulaC10H16F2O6
Molecular Weight270.23 g/mol
Exact Mass270.09
IUPAC Name2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
SMILESCC1CC(F)C(F)(C(=O)O)OC1C(O)C(O)CO
InChIInChI=1S/C10H16F2O6/c1-4-2-6(11)10(12,9(16)17)18-8(4)7(15)5(14)3-13/h4-8,13-15H,2-3H2,1H3,(H,16,17)
InChIKeyZEEWEKSZYMBHLV-UHFFFAOYSA-N
XLogP-0.79
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
The IUPAC name of 2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid (CID 91256816) is 2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid.
What is the SMILES notation for 2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
The canonical SMILES for 2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid is CC1CC(F)C(F)(C(=O)O)OC1C(O)C(O)CO.
What is the InChIKey of 2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
The InChIKey is ZEEWEKSZYMBHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O6/c1-4-2-6(11)10(12,9(16)17)18-8(4)7(15)5(14)3-13/h4-8,13-15H,2-3H2,1H3,(H,16,17).
What are the key properties of 2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid has a molecular weight of 270.23 g/mol, XLogP of -0.79, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid is sourced from PubChem (CID 91256816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).