ethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate

C11H11F3O3 — CID 14790773

IUPACethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate
SMILESCCOC(=O)C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O3/c1-2-17-9(15)10(16,11(12,13)14)8-6-4-3-5-7-8/h3-7,16H,2H2,1H3
InChIKeySBRZVCULUVUJBV-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.00
Rot. Bonds3

About ethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate

ethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate (PubChem CID 14790773) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is ethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate
PubChem CID14790773
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Nameethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate
SMILESCCOC(=O)C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O3/c1-2-17-9(15)10(16,11(12,13)14)8-6-4-3-5-7-8/h3-7,16H,2H2,1H3
InChIKeySBRZVCULUVUJBV-UHFFFAOYSA-N
XLogP2.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate 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 ethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate?
The IUPAC name of ethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate (CID 14790773) is ethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate.
What is the SMILES notation for ethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate?
The canonical SMILES for ethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate is CCOC(=O)C(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of ethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate?
The InChIKey is SBRZVCULUVUJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-2-17-9(15)10(16,11(12,13)14)8-6-4-3-5-7-8/h3-7,16H,2H2,1H3.
What are the key properties of ethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate?
ethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate has a molecular weight of 248.20 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate is sourced from PubChem (CID 14790773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).