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

C8H13F3N2O2 — CID 43397413

IUPAC2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6-13-3-1-12(2-4-13)5-7(14)15/h1-6H2,(H,14,15)
InChIKeyGCKGVXWHGCFZMZ-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.25
Rot. Bonds3

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

2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetic acid (PubChem CID 43397413) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetic acid
PubChem CID43397413
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)6-13-3-1-12(2-4-13)5-7(14)15/h1-6H2,(H,14,15)
InChIKeyGCKGVXWHGCFZMZ-UHFFFAOYSA-N
XLogP0.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methylpiperazin-1-yl)acetic acid
CID 2762732
1,4-Piperazinediacetic acid
CID 72640
2-(4-Ethylpiperazin-1-yl)acetic acid
CID 3163246
2-Piperazin-1-ylacetic acid;bis(2,2,2-trifluoroacetic acid)
CID 22722759
2-[2-[Bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl(2,2,2-trifluoroethyl)amino]ethyl]amino]acetic acid
CID 88458352
Piperazine acetic acid-TFA salt
CID 131730749
[2-(4-Methylpiperazin-1-yl)acetyl] 2,2,2-trifluoroacetate
CID 155797884
1,4-Dimethylpiperazine;2,2,2-trifluoroacetic acid
CID 156310691
2-(4-Methylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 160840103
2-(1,4-Dimethylpiperazin-1-ium-1-yl)ethanol;2,2,2-trifluoroacetate
CID 161912059
1,4-Dimethylpiperazin-2-one;2,2,2-trifluoroacetic acid
CID 172827555
2-(4-Acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 175085687

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetic acid (CID 43397413) is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetic acid?
The InChIKey is GCKGVXWHGCFZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)6-13-3-1-12(2-4-13)5-7(14)15/h1-6H2,(H,14,15).
What are the key properties of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetic acid?
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetic acid has a molecular weight of 226.20 g/mol, XLogP of 0.25, 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]acetic acid is sourced from PubChem (CID 43397413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).