1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one

C9H15F3N2O2 — CID 62310214

IUPAC1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one
SMILESO=C1CNCCN1CCCOCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7-16-5-1-3-14-4-2-13-6-8(14)15/h13H,1-7H2
InChIKeySHCOVEPHAMVBQU-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.39
Rot. Bonds5

About 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one

1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one (PubChem CID 62310214) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one
PubChem CID62310214
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one
SMILESO=C1CNCCN1CCCOCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7-16-5-1-3-14-4-2-13-6-8(14)15/h13H,1-7H2
InChIKeySHCOVEPHAMVBQU-UHFFFAOYSA-N
XLogP0.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one (CID 62310214) is 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one is O=C1CNCCN1CCCOCC(F)(F)F.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one?
The InChIKey is SHCOVEPHAMVBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)7-16-5-1-3-14-4-2-13-6-8(14)15/h13H,1-7H2.
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one?
1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one has a molecular weight of 240.22 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-2-one is sourced from PubChem (CID 62310214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).