ethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate

C11H12F2O3 — CID 11776001

IUPACethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate
SMILESCCOC(=O)C(O)C(F)(F)c1ccccc1
InChIInChI=1S/C11H12F2O3/c1-2-16-10(15)9(14)11(12,13)8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3
InChIKeyQDBWHAAEZOWYOG-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.70
Rot. Bonds4

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

ethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate (PubChem CID 11776001) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is ethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate
PubChem CID11776001
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Nameethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate
SMILESCCOC(=O)C(O)C(F)(F)c1ccccc1
InChIInChI=1S/C11H12F2O3/c1-2-16-10(15)9(14)11(12,13)8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3
InChIKeyQDBWHAAEZOWYOG-UHFFFAOYSA-N
XLogP1.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3,3-difluoro-2-hydroxy-3-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-difluoro-2-hydroxy-3-phenylpropanoate?
The IUPAC name of ethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate (CID 11776001) is ethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for ethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate?
The canonical SMILES for ethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate is CCOC(=O)C(O)C(F)(F)c1ccccc1.
What is the InChIKey of ethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate?
The InChIKey is QDBWHAAEZOWYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-2-16-10(15)9(14)11(12,13)8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3.
What are the key properties of ethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate?
ethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate has a molecular weight of 230.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-difluoro-2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 11776001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).