2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid

C12H12F4O2 — CID 84729711

IUPAC2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccccc1C(F)(F)C(F)F
InChIInChI=1S/C12H12F4O2/c1-11(2,10(17)18)7-5-3-4-6-8(7)12(15,16)9(13)14/h3-6,9H,1-2H3,(H,17,18)
InChIKeyXWPLWNFEABZWJH-UHFFFAOYSA-N
MW264.22 g/mol
LogP3.41
Rot. Bonds4

About 2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid

2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid (PubChem CID 84729711) has the molecular formula C12H12F4O2 and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid
PubChem CID84729711
Molecular FormulaC12H12F4O2
Molecular Weight264.22 g/mol
Exact Mass264.08
IUPAC Name2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccccc1C(F)(F)C(F)F
InChIInChI=1S/C12H12F4O2/c1-11(2,10(17)18)7-5-3-4-6-8(7)12(15,16)9(13)14/h3-6,9H,1-2H3,(H,17,18)
InChIKeyXWPLWNFEABZWJH-UHFFFAOYSA-N
XLogP3.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic 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-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid (CID 84729711) is 2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid is CC(C)(C(=O)O)c1ccccc1C(F)(F)C(F)F.
What is the InChIKey of 2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid?
The InChIKey is XWPLWNFEABZWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4O2/c1-11(2,10(17)18)7-5-3-4-6-8(7)12(15,16)9(13)14/h3-6,9H,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid?
2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid has a molecular weight of 264.22 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid is sourced from PubChem (CID 84729711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).