2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C13H21F6N3O2 — CID 47810065

IUPAC2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(CCCOCC(F)(F)F)CC1)NCC(F)(F)F
InChIInChI=1S/C13H21F6N3O2/c14-12(15,16)9-20-11(23)8-22-5-3-21(4-6-22)2-1-7-24-10-13(17,18)19/h1-10H2,(H,20,23)
InChIKeyWWPMLTMULRMJCG-UHFFFAOYSA-N
MW365.32 g/mol
LogP1.25
Rot. Bonds8

About 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47810065) has the molecular formula C13H21F6N3O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47810065
Molecular FormulaC13H21F6N3O2
Molecular Weight365.32 g/mol
Exact Mass365.15
IUPAC Name2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(CCCOCC(F)(F)F)CC1)NCC(F)(F)F
InChIInChI=1S/C13H21F6N3O2/c14-12(15,16)9-20-11(23)8-22-5-3-21(4-6-22)2-1-7-24-10-13(17,18)19/h1-10H2,(H,20,23)
InChIKeyWWPMLTMULRMJCG-UHFFFAOYSA-N
XLogP1.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 47810065) is 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCN(CCCOCC(F)(F)F)CC1)NCC(F)(F)F.
What is the InChIKey of 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WWPMLTMULRMJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F6N3O2/c14-12(15,16)9-20-11(23)8-22-5-3-21(4-6-22)2-1-7-24-10-13(17,18)19/h1-10H2,(H,20,23).
What are the key properties of 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 365.32 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47810065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).