ethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate

C19H18F2O4 — CID 68535649

IUPACethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate
SMILESCCOC(=O)C(O)CC(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H18F2O4/c1-2-25-19(24)17(23)11-16(22)18(12-3-7-14(20)8-4-12)13-5-9-15(21)10-6-13/h3-10,17-18,23H,2,11H2,1H3
InChIKeyJIVJUPHEMOORBU-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.98
Rot. Bonds7

About ethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate

ethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate (PubChem CID 68535649) has the molecular formula C19H18F2O4 and a molecular weight of 348.35 g/mol. Its IUPAC name is ethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate
PubChem CID68535649
Molecular FormulaC19H18F2O4
Molecular Weight348.35 g/mol
Exact Mass348.12
IUPAC Nameethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate
SMILESCCOC(=O)C(O)CC(=O)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H18F2O4/c1-2-25-19(24)17(23)11-16(22)18(12-3-7-14(20)8-4-12)13-5-9-15(21)10-6-13/h3-10,17-18,23H,2,11H2,1H3
InChIKeyJIVJUPHEMOORBU-UHFFFAOYSA-N
XLogP2.98
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate 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 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate?
The IUPAC name of ethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate (CID 68535649) is ethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate.
What is the SMILES notation for ethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate?
The canonical SMILES for ethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate is CCOC(=O)C(O)CC(=O)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of ethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate?
The InChIKey is JIVJUPHEMOORBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O4/c1-2-25-19(24)17(23)11-16(22)18(12-3-7-14(20)8-4-12)13-5-9-15(21)10-6-13/h3-10,17-18,23H,2,11H2,1H3.
What are the key properties of ethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate?
ethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate has a molecular weight of 348.35 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate is sourced from PubChem (CID 68535649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).