(3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C11H18F3N3O2 — CID 64892788

IUPAC(3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCOC1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)7-16-2-4-17(5-3-16)9(18)10(15)1-6-19-8-10/h1-8,15H2
InChIKeyGLKHXDNEMYVTHH-UHFFFAOYSA-N
MW281.28 g/mol
LogP-0.19
Rot. Bonds2

About (3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 64892788) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is (3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID64892788
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name(3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCOC1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)7-16-2-4-17(5-3-16)9(18)10(15)1-6-19-8-10/h1-8,15H2
InChIKeyGLKHXDNEMYVTHH-UHFFFAOYSA-N
XLogP-0.19
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 64892788) is (3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is NC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCOC1.
What is the InChIKey of (3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is GLKHXDNEMYVTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c12-11(13,14)7-16-2-4-17(5-3-16)9(18)10(15)1-6-19-8-10/h1-8,15H2.
What are the key properties of (3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 281.28 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 64892788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).