4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione

C18H14F3NO2 — CID 42628284

IUPAC4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione
SMILESO=C1CC(c2ccccc2)CC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3NO2/c19-18(20,21)14-6-8-15(9-7-14)22-16(23)10-13(11-17(22)24)12-4-2-1-3-5-12/h1-9,13H,10-11H2
InChIKeyRIUDGRIDBMLILZ-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.14
Rot. Bonds2

About 4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione

4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione (PubChem CID 42628284) has the molecular formula C18H14F3NO2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione
PubChem CID42628284
Molecular FormulaC18H14F3NO2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione
SMILESO=C1CC(c2ccccc2)CC(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3NO2/c19-18(20,21)14-6-8-15(9-7-14)22-16(23)10-13(11-17(22)24)12-4-2-1-3-5-12/h1-9,13H,10-11H2
InChIKeyRIUDGRIDBMLILZ-UHFFFAOYSA-N
XLogP4.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione?
The IUPAC name of 4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione (CID 42628284) is 4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione is O=C1CC(c2ccccc2)CC(=O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione?
The InChIKey is RIUDGRIDBMLILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2/c19-18(20,21)14-6-8-15(9-7-14)22-16(23)10-13(11-17(22)24)12-4-2-1-3-5-12/h1-9,13H,10-11H2.
What are the key properties of 4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione?
4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione has a molecular weight of 333.31 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 42628284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).