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

C13H22F3N3O2 — CID 66258905

IUPAC[4-(ethylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCCNC1COCC1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O2/c1-2-17-11-8-21-7-10(11)12(20)19-5-3-18(4-6-19)9-13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyQIQZHOCCAGNVDA-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.32
Rot. Bonds4

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

[4-(ethylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 66258905) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is [4-(ethylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(ethylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID66258905
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC Name[4-(ethylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCCNC1COCC1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O2/c1-2-17-11-8-21-7-10(11)12(20)19-5-3-18(4-6-19)9-13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyQIQZHOCCAGNVDA-UHFFFAOYSA-N
XLogP0.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(ethylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 66258905) is [4-(ethylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(ethylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(ethylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is CCNC1COCC1C(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of [4-(ethylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is QIQZHOCCAGNVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c1-2-17-11-8-21-7-10(11)12(20)19-5-3-18(4-6-19)9-13(14,15)16/h10-11,17H,2-9H2,1H3.
What are the key properties of [4-(ethylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
[4-(ethylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 309.33 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66258905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).