3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid

C6H7F3O4 — CID 54412667

IUPAC3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid
SMILESO=C(O)C(F)(F)C(F)C1OCCO1
InChIInChI=1S/C6H7F3O4/c7-3(4-12-1-2-13-4)6(8,9)5(10)11/h3-4H,1-2H2,(H,10,11)
InChIKeyVVFLEKNOQJARNH-UHFFFAOYSA-N
MW200.11 g/mol
LogP0.42
Rot. Bonds3

About 3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid

3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid (PubChem CID 54412667) has the molecular formula C6H7F3O4 and a molecular weight of 200.11 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid
PubChem CID54412667
Molecular FormulaC6H7F3O4
Molecular Weight200.11 g/mol
Exact Mass200.03
IUPAC Name3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid
SMILESO=C(O)C(F)(F)C(F)C1OCCO1
InChIInChI=1S/C6H7F3O4/c7-3(4-12-1-2-13-4)6(8,9)5(10)11/h3-4H,1-2H2,(H,10,11)
InChIKeyVVFLEKNOQJARNH-UHFFFAOYSA-N
XLogP0.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic 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 3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid (CID 54412667) is 3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid is O=C(O)C(F)(F)C(F)C1OCCO1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid?
The InChIKey is VVFLEKNOQJARNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O4/c7-3(4-12-1-2-13-4)6(8,9)5(10)11/h3-4H,1-2H2,(H,10,11).
What are the key properties of 3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid?
3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid has a molecular weight of 200.11 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-2,2,3-trifluoropropanoic acid is sourced from PubChem (CID 54412667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).