3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one

C9H15F3N2O2 — CID 43417262

IUPAC3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCN(CCO)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7-8(16)14-3-1-13(2-4-14)5-6-15/h15H,1-7H2
InChIKeyXQTIZOVMHHUGOK-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.08
Rot. Bonds3

About 3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one

3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one (PubChem CID 43417262) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
PubChem CID43417262
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCN(CCO)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)7-8(16)14-3-1-13(2-4-14)5-6-15/h15H,1-7H2
InChIKeyXQTIZOVMHHUGOK-UHFFFAOYSA-N
XLogP0.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one (CID 43417262) is 3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one is O=C(CC(F)(F)F)N1CCN(CCO)CC1.
What is the InChIKey of 3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The InChIKey is XQTIZOVMHHUGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)7-8(16)14-3-1-13(2-4-14)5-6-15/h15H,1-7H2.
What are the key properties of 3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one has a molecular weight of 240.22 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 43417262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).