2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid

C7H11F3N2O2 — CID 84723371

IUPAC2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCNCC1C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5-3-11-1-2-12(5)4-6(13)14/h5,11H,1-4H2,(H,13,14)
InChIKeyNOPKAPKYYMAYBF-UHFFFAOYSA-N
MW212.17 g/mol
LogP-0.09
Rot. Bonds2

About 2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid

2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid (PubChem CID 84723371) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid
PubChem CID84723371
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCNCC1C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5-3-11-1-2-12(5)4-6(13)14/h5,11H,1-4H2,(H,13,14)
InChIKeyNOPKAPKYYMAYBF-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid (CID 84723371) is 2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCNCC1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid?
The InChIKey is NOPKAPKYYMAYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)5-3-11-1-2-12(5)4-6(13)14/h5,11H,1-4H2,(H,13,14).
What are the key properties of 2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid?
2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid has a molecular weight of 212.17 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 84723371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).