3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione

C15H16F3NO2 — CID 170052287

IUPAC3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione
SMILESCC(C)c1ccc(C(F)(F)F)c(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C15H16F3NO2/c1-8(2)9-3-5-12(15(16,17)18)11(7-9)10-4-6-13(20)19-14(10)21/h3,5,7-8,10H,4,6H2,1-2H3,(H,19,20,21)
InChIKeyMOROQWVCBRNAHR-UHFFFAOYSA-N
MW299.29 g/mol
LogP3.35
Rot. Bonds2

About 3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione

3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione (PubChem CID 170052287) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione
PubChem CID170052287
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione
SMILESCC(C)c1ccc(C(F)(F)F)c(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C15H16F3NO2/c1-8(2)9-3-5-12(15(16,17)18)11(7-9)10-4-6-13(20)19-14(10)21/h3,5,7-8,10H,4,6H2,1-2H3,(H,19,20,21)
InChIKeyMOROQWVCBRNAHR-UHFFFAOYSA-N
XLogP3.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
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 3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione (CID 170052287) is 3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione is CC(C)c1ccc(C(F)(F)F)c(C2CCC(=O)NC2=O)c1.
What is the InChIKey of 3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione?
The InChIKey is MOROQWVCBRNAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-8(2)9-3-5-12(15(16,17)18)11(7-9)10-4-6-13(20)19-14(10)21/h3,5,7-8,10H,4,6H2,1-2H3,(H,19,20,21).
What are the key properties of 3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione?
3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione has a molecular weight of 299.29 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 170052287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).