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

C13H13F2NO3 — CID 166067655

IUPAC3-[2,6-difluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2c(F)cc(CCO)cc2F)C(=O)N1
InChIInChI=1S/C13H13F2NO3/c14-9-5-7(3-4-17)6-10(15)12(9)8-1-2-11(18)16-13(8)19/h5-6,8,17H,1-4H2,(H,16,18,19)
InChIKeyPAYOGWXPXRDYEO-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.02
Rot. Bonds3

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

3-[2,6-difluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione (PubChem CID 166067655) has the molecular formula C13H13F2NO3 and a molecular weight of 269.25 g/mol. Its IUPAC name is 3-[2,6-difluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2,6-difluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione
PubChem CID166067655
Molecular FormulaC13H13F2NO3
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name3-[2,6-difluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2c(F)cc(CCO)cc2F)C(=O)N1
InChIInChI=1S/C13H13F2NO3/c14-9-5-7(3-4-17)6-10(15)12(9)8-1-2-11(18)16-13(8)19/h5-6,8,17H,1-4H2,(H,16,18,19)
InChIKeyPAYOGWXPXRDYEO-UHFFFAOYSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.02
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-[2,6-difluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2,6-difluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione (CID 166067655) is 3-[2,6-difluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2,6-difluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2,6-difluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione is O=C1CCC(c2c(F)cc(CCO)cc2F)C(=O)N1.
What is the InChIKey of 3-[2,6-difluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione?
The InChIKey is PAYOGWXPXRDYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3/c14-9-5-7(3-4-17)6-10(15)12(9)8-1-2-11(18)16-13(8)19/h5-6,8,17H,1-4H2,(H,16,18,19).
What are the key properties of 3-[2,6-difluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione?
3-[2,6-difluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione has a molecular weight of 269.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-difluoro-4-(2-hydroxyethyl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 166067655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).