2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol

C8H15F3N2O — CID 60744112

IUPAC2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7-13-3-1-12(2-4-13)5-6-14/h14H,1-7H2
InChIKeyLVNYNNXOFJLHOA-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.16
Rot. Bonds3

About 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol

2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol (PubChem CID 60744112) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
PubChem CID60744112
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7-13-3-1-12(2-4-13)5-6-14/h14H,1-7H2
InChIKeyLVNYNNXOFJLHOA-UHFFFAOYSA-N
XLogP0.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol (CID 60744112) is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol is OCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The InChIKey is LVNYNNXOFJLHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)7-13-3-1-12(2-4-13)5-6-14/h14H,1-7H2.
What are the key properties of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol has a molecular weight of 212.21 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 60744112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).