4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one

C7H11F3N2O2 — CID 115101362

IUPAC4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(CCO)C(C(F)(F)F)CN1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5-3-11-6(14)4-12(5)1-2-13/h5,13H,1-4H2,(H,11,14)
InChIKeyYSMNTIWSSATJGT-UHFFFAOYSA-N
MW212.17 g/mol
LogP-0.66
Rot. Bonds2

About 4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one

4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one (PubChem CID 115101362) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one
PubChem CID115101362
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(CCO)C(C(F)(F)F)CN1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5-3-11-6(14)4-12(5)1-2-13/h5,13H,1-4H2,(H,11,14)
InChIKeyYSMNTIWSSATJGT-UHFFFAOYSA-N
XLogP-0.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one?
The IUPAC name of 4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one (CID 115101362) is 4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one is O=C1CN(CCO)C(C(F)(F)F)CN1.
What is the InChIKey of 4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one?
The InChIKey is YSMNTIWSSATJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)5-3-11-6(14)4-12(5)1-2-13/h5,13H,1-4H2,(H,11,14).
What are the key properties of 4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one?
4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one has a molecular weight of 212.17 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-5-(trifluoromethyl)piperazin-2-one is sourced from PubChem (CID 115101362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).