1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine

C9H15F3N2O — CID 62968046

IUPAC1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(CC2CO2)CC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)7-14-3-1-13(2-4-14)5-8-6-15-8/h8H,1-7H2
InChIKeyMDUOBCBGKACNJE-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.57
Rot. Bonds3

About 1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 62968046) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID62968046
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(CC2CO2)CC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)7-14-3-1-13(2-4-14)5-8-6-15-8/h8H,1-7H2
InChIKeyMDUOBCBGKACNJE-UHFFFAOYSA-N
XLogP0.57
TPSA19.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 62968046) is 1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN(CC2CO2)CC1.
What is the InChIKey of 1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is MDUOBCBGKACNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)7-14-3-1-13(2-4-14)5-8-6-15-8/h8H,1-7H2.
What are the key properties of 1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 224.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 62968046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).