3-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione

C12H10F3NO3 — CID 168902040

IUPAC3-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(O)c(C(F)(F)F)c2)C(=O)N1
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)8-5-6(1-3-9(8)17)7-2-4-10(18)16-11(7)19/h1,3,5,7,17H,2,4H2,(H,16,18,19)
InChIKeyKHZKBUXUYWZTCO-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.93
Rot. Bonds1

About 3-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione

3-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione (PubChem CID 168902040) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is 3-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione
PubChem CID168902040
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name3-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(O)c(C(F)(F)F)c2)C(=O)N1
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)8-5-6(1-3-9(8)17)7-2-4-10(18)16-11(7)19/h1,3,5,7,17H,2,4H2,(H,16,18,19)
InChIKeyKHZKBUXUYWZTCO-UHFFFAOYSA-N
XLogP1.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.93
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-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione (CID 168902040) is 3-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione is O=C1CCC(c2ccc(O)c(C(F)(F)F)c2)C(=O)N1.
What is the InChIKey of 3-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione?
The InChIKey is KHZKBUXUYWZTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c13-12(14,15)8-5-6(1-3-9(8)17)7-2-4-10(18)16-11(7)19/h1,3,5,7,17H,2,4H2,(H,16,18,19).
What are the key properties of 3-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione?
3-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione has a molecular weight of 273.21 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-3-(trifluoromethyl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 168902040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).