2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid

C6H7F3O4 — CID 582813

IUPAC2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid
SMILESO=C(O)CC1(C(F)(F)F)OCCO1
InChIInChI=1S/C6H7F3O4/c7-6(8,9)5(3-4(10)11)12-1-2-13-5/h1-3H2,(H,10,11)
InChIKeyMPZHFZZRKBOXNF-UHFFFAOYSA-N
MW200.11 g/mol
LogP0.77
Rot. Bonds2

About 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid

2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid (PubChem CID 582813) has the molecular formula C6H7F3O4 and a molecular weight of 200.11 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid
PubChem CID582813
Molecular FormulaC6H7F3O4
Molecular Weight200.11 g/mol
Exact Mass200.03
IUPAC Name2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid
SMILESO=C(O)CC1(C(F)(F)F)OCCO1
InChIInChI=1S/C6H7F3O4/c7-6(8,9)5(3-4(10)11)12-1-2-13-5/h1-3H2,(H,10,11)
InChIKeyMPZHFZZRKBOXNF-UHFFFAOYSA-N
XLogP0.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic 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-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid?
The IUPAC name of 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid (CID 582813) is 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid is O=C(O)CC1(C(F)(F)F)OCCO1.
What is the InChIKey of 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid?
The InChIKey is MPZHFZZRKBOXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O4/c7-6(8,9)5(3-4(10)11)12-1-2-13-5/h1-3H2,(H,10,11).
What are the key properties of 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid?
2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid has a molecular weight of 200.11 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid is sourced from PubChem (CID 582813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).