1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one

C10H13F3N2O2 — CID 135298816

IUPAC1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one
SMILESO=C1CCN1C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)9(17)14-4-1-7(2-5-14)15-6-3-8(15)16/h7H,1-6H2
InChIKeyKEASVMHPXFPVPI-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.77
Rot. Bonds1

About 1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one

1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one (PubChem CID 135298816) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one.

Molecular Properties

Compound Name1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one
PubChem CID135298816
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one
SMILESO=C1CCN1C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)9(17)14-4-1-7(2-5-14)15-6-3-8(15)16/h7H,1-6H2
InChIKeyKEASVMHPXFPVPI-UHFFFAOYSA-N
XLogP0.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one?
The IUPAC name of 1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one (CID 135298816) is 1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one.
What is the SMILES notation for 1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one?
The canonical SMILES for 1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one is O=C1CCN1C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one?
The InChIKey is KEASVMHPXFPVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)9(17)14-4-1-7(2-5-14)15-6-3-8(15)16/h7H,1-6H2.
What are the key properties of 1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one?
1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one has a molecular weight of 250.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]azetidin-2-one is sourced from PubChem (CID 135298816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).