2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid

C8H13FO3 — CID 127015556

IUPAC2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid
SMILESCC1CC(C(F)C(=O)O)C(C)O1
InChIInChI=1S/C8H13FO3/c1-4-3-6(5(2)12-4)7(9)8(10)11/h4-7H,3H2,1-2H3,(H,10,11)
InChIKeyABHMIOZXUDTNOF-UHFFFAOYSA-N
MW176.19 g/mol
LogP1.22
Rot. Bonds2

About 2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid

2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid (PubChem CID 127015556) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid
PubChem CID127015556
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Name2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid
SMILESCC1CC(C(F)C(=O)O)C(C)O1
InChIInChI=1S/C8H13FO3/c1-4-3-6(5(2)12-4)7(9)8(10)11/h4-7H,3H2,1-2H3,(H,10,11)
InChIKeyABHMIOZXUDTNOF-UHFFFAOYSA-N
XLogP1.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic 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 2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid (CID 127015556) is 2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid is CC1CC(C(F)C(=O)O)C(C)O1.
What is the InChIKey of 2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid?
The InChIKey is ABHMIOZXUDTNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO3/c1-4-3-6(5(2)12-4)7(9)8(10)11/h4-7H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid?
2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid has a molecular weight of 176.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyloxolan-3-yl)-2-fluoroacetic acid is sourced from PubChem (CID 127015556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).