6,6-difluorooxane-3-carboxylic acid

C6H8F2O3 — CID 164673173

IUPAC6,6-difluorooxane-3-carboxylic acid
SMILESO=C(O)C1CCC(F)(F)OC1
InChIInChI=1S/C6H8F2O3/c7-6(8)2-1-4(3-11-6)5(9)10/h4H,1-3H2,(H,9,10)
InChIKeyZQWAUFMIDGOACZ-UHFFFAOYSA-N
MW166.12 g/mol
LogP1.09
Rot. Bonds1

About 6,6-difluorooxane-3-carboxylic acid

6,6-difluorooxane-3-carboxylic acid (PubChem CID 164673173) has the molecular formula C6H8F2O3 and a molecular weight of 166.12 g/mol. Its IUPAC name is 6,6-difluorooxane-3-carboxylic acid.

Molecular Properties

Compound Name6,6-difluorooxane-3-carboxylic acid
PubChem CID164673173
Molecular FormulaC6H8F2O3
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name6,6-difluorooxane-3-carboxylic acid
SMILESO=C(O)C1CCC(F)(F)OC1
InChIInChI=1S/C6H8F2O3/c7-6(8)2-1-4(3-11-6)5(9)10/h4H,1-3H2,(H,9,10)
InChIKeyZQWAUFMIDGOACZ-UHFFFAOYSA-N
XLogP1.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6-difluorooxane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,6-difluorooxane-3-carboxylic acid?
The IUPAC name of 6,6-difluorooxane-3-carboxylic acid (CID 164673173) is 6,6-difluorooxane-3-carboxylic acid.
What is the SMILES notation for 6,6-difluorooxane-3-carboxylic acid?
The canonical SMILES for 6,6-difluorooxane-3-carboxylic acid is O=C(O)C1CCC(F)(F)OC1.
What is the InChIKey of 6,6-difluorooxane-3-carboxylic acid?
The InChIKey is ZQWAUFMIDGOACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O3/c7-6(8)2-1-4(3-11-6)5(9)10/h4H,1-3H2,(H,9,10).
What are the key properties of 6,6-difluorooxane-3-carboxylic acid?
6,6-difluorooxane-3-carboxylic acid has a molecular weight of 166.12 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluorooxane-3-carboxylic acid is sourced from PubChem (CID 164673173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).