3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione

C13H14FNO3 — CID 166947460

IUPAC3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(CCO)cc2F)C(=O)N1
InChIInChI=1S/C13H14FNO3/c14-11-7-8(5-6-16)1-2-9(11)10-3-4-12(17)15-13(10)18/h1-2,7,10,16H,3-6H2,(H,15,17,18)
InChIKeyWQRPQFIROJMPSC-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.88
Rot. Bonds3

About 3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione

3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione (PubChem CID 166947460) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione
PubChem CID166947460
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(CCO)cc2F)C(=O)N1
InChIInChI=1S/C13H14FNO3/c14-11-7-8(5-6-16)1-2-9(11)10-3-4-12(17)15-13(10)18/h1-2,7,10,16H,3-6H2,(H,15,17,18)
InChIKeyWQRPQFIROJMPSC-UHFFFAOYSA-N
XLogP0.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione (CID 166947460) is 3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione is O=C1CCC(c2ccc(CCO)cc2F)C(=O)N1.
What is the InChIKey of 3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione?
The InChIKey is WQRPQFIROJMPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-11-7-8(5-6-16)1-2-9(11)10-3-4-12(17)15-13(10)18/h1-2,7,10,16H,3-6H2,(H,15,17,18).
What are the key properties of 3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione?
3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione has a molecular weight of 251.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 166947460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).