2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide

C10H14F6N2O3 — CID 22040242

IUPAC2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide
SMILESO=C(NCC1CC[NH2+]CC1)C(F)(F)F.O=C([O-])C(F)(F)F
InChIInChI=1S/C8H13F3N2O.C2HF3O2/c9-8(10,11)7(14)13-5-6-1-3-12-4-2-6;3-2(4,5)1(6)7/h6,12H,1-5H2,(H,13,14);(H,6,7)
InChIKeyQTOFYQQMRAGXMQ-UHFFFAOYSA-N
MW324.22 g/mol
LogP-1.06
Rot. Bonds2

About 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide

2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide (PubChem CID 22040242) has the molecular formula C10H14F6N2O3 and a molecular weight of 324.22 g/mol. Its IUPAC name is 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide
PubChem CID22040242
Molecular FormulaC10H14F6N2O3
Molecular Weight324.22 g/mol
Exact Mass324.09
IUPAC Name2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide
SMILESO=C(NCC1CC[NH2+]CC1)C(F)(F)F.O=C([O-])C(F)(F)F
InChIInChI=1S/C8H13F3N2O.C2HF3O2/c9-8(10,11)7(14)13-5-6-1-3-12-4-2-6;3-2(4,5)1(6)7/h6,12H,1-5H2,(H,13,14);(H,6,7)
InChIKeyQTOFYQQMRAGXMQ-UHFFFAOYSA-N
XLogP-1.06
TPSA85.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide 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 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide (CID 22040242) is 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide is O=C(NCC1CC[NH2+]CC1)C(F)(F)F.O=C([O-])C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide?
The InChIKey is QTOFYQQMRAGXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O.C2HF3O2/c9-8(10,11)7(14)13-5-6-1-3-12-4-2-6;3-2(4,5)1(6)7/h6,12H,1-5H2,(H,13,14);(H,6,7).
What are the key properties of 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide?
2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide has a molecular weight of 324.22 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetate;2,2,2-trifluoro-N-(piperidin-1-ium-4-ylmethyl)acetamide is sourced from PubChem (CID 22040242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).