ethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate

C11H12F2O3 — CID 11075207

IUPACethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate
SMILESCCOC(=O)C(F)(F)[C@H](O)c1ccccc1
InChIInChI=1S/C11H12F2O3/c1-2-16-10(15)11(12,13)9(14)8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3/t9-/m1/s1
InChIKeyOYRPSENEIFZNIS-SECBINFHSA-N
MW230.21 g/mol
LogP1.92
Rot. Bonds4

About ethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate

ethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate (PubChem CID 11075207) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is ethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate
PubChem CID11075207
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Nameethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate
SMILESCCOC(=O)C(F)(F)[C@H](O)c1ccccc1
InChIInChI=1S/C11H12F2O3/c1-2-16-10(15)11(12,13)9(14)8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3/t9-/m1/s1
InChIKeyOYRPSENEIFZNIS-SECBINFHSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (3R)-2,2-difluoro-3-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

Related Compounds

Mandelic Acid
CID 1292
(S)-mandelic acid
CID 439616
(-)-Mandelic acid
CID 11914
Ethyl mandelate
CID 13050
(+-)-Methyl mandelate
CID 78066
Ethyl 3-phenylhydracrylate, (+-)-
CID 99818
Isoamyl mandelate
CID 95396
4-Fluoromandelic acid
CID 98068
2,3-Dihydroxy-3-phenylpropanoic acid
CID 265740
Fenpyroximate M-15
CID 18334393
3-Hydroxy-3-phenylpropanoic acid
CID 92959
Methyl 3-hydroxy-3-phenylpropanoate
CID 347841

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate?
The IUPAC name of ethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate (CID 11075207) is ethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate.
What is the SMILES notation for ethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate?
The canonical SMILES for ethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate is CCOC(=O)C(F)(F)[C@H](O)c1ccccc1.
What is the InChIKey of ethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate?
The InChIKey is OYRPSENEIFZNIS-SECBINFHSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-2-16-10(15)11(12,13)9(14)8-6-4-3-5-7-8/h3-7,9,14H,2H2,1H3/t9-/m1/s1.
What are the key properties of ethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate?
ethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate has a molecular weight of 230.21 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-2,2-difluoro-3-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 11075207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).