piperidine;2,2,2-trifluoroacetamide

C7H13F3N2O — CID 121482656

IUPACpiperidine;2,2,2-trifluoroacetamide
SMILESC1CCNCC1.NC(=O)C(F)(F)F
InChIInChI=1S/C5H11N.C2H2F3NO/c1-2-4-6-5-3-1;3-2(4,5)1(6)7/h6H,1-5H2;(H2,6,7)
InChIKeyGTWZLVIUUMRHOV-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.79
Rot. Bonds

About piperidine;2,2,2-trifluoroacetamide

piperidine;2,2,2-trifluoroacetamide (PubChem CID 121482656) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is piperidine;2,2,2-trifluoroacetamide.

Molecular Properties

Compound Namepiperidine;2,2,2-trifluoroacetamide
PubChem CID121482656
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Namepiperidine;2,2,2-trifluoroacetamide
SMILESC1CCNCC1.NC(=O)C(F)(F)F
InChIInChI=1S/C5H11N.C2H2F3NO/c1-2-4-6-5-3-1;3-2(4,5)1(6)7/h6H,1-5H2;(H2,6,7)
InChIKeyGTWZLVIUUMRHOV-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze piperidine;2,2,2-trifluoroacetamide 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 piperidine;2,2,2-trifluoroacetamide?
The IUPAC name of piperidine;2,2,2-trifluoroacetamide (CID 121482656) is piperidine;2,2,2-trifluoroacetamide.
What is the SMILES notation for piperidine;2,2,2-trifluoroacetamide?
The canonical SMILES for piperidine;2,2,2-trifluoroacetamide is C1CCNCC1.NC(=O)C(F)(F)F.
What is the InChIKey of piperidine;2,2,2-trifluoroacetamide?
The InChIKey is GTWZLVIUUMRHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2H2F3NO/c1-2-4-6-5-3-1;3-2(4,5)1(6)7/h6H,1-5H2;(H2,6,7).
What are the key properties of piperidine;2,2,2-trifluoroacetamide?
piperidine;2,2,2-trifluoroacetamide has a molecular weight of 198.19 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;2,2,2-trifluoroacetamide is sourced from PubChem (CID 121482656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).