2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide

C10H13F6N3O2 — CID 4216151

IUPAC2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide
SMILESO=C(NCCN1CCN(C(=O)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C10H13F6N3O2/c11-9(12,13)7(20)17-1-2-18-3-5-19(6-4-18)8(21)10(14,15)16/h1-6H2,(H,17,20)
InChIKeyDCKXSEJJSWAVFP-UHFFFAOYSA-N
MW321.22 g/mol
LogP0.37
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 4216151) has the molecular formula C10H13F6N3O2 and a molecular weight of 321.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide
PubChem CID4216151
Molecular FormulaC10H13F6N3O2
Molecular Weight321.22 g/mol
Exact Mass321.09
IUPAC Name2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide
SMILESO=C(NCCN1CCN(C(=O)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C10H13F6N3O2/c11-9(12,13)7(20)17-1-2-18-3-5-19(6-4-18)8(21)10(14,15)16/h1-6H2,(H,17,20)
InChIKeyDCKXSEJJSWAVFP-UHFFFAOYSA-N
XLogP0.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide (CID 4216151) is 2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide is O=C(NCCN1CCN(C(=O)C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is DCKXSEJJSWAVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6N3O2/c11-9(12,13)7(20)17-1-2-18-3-5-19(6-4-18)8(21)10(14,15)16/h1-6H2,(H,17,20).
What are the key properties of 2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 321.22 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 4216151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).