2-(trifluoromethyl)piperazine-1-carboxylic acid

C6H9F3N2O2 — CID 68728065

IUPAC2-(trifluoromethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNCC1C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)4-3-10-1-2-11(4)5(12)13/h4,10H,1-3H2,(H,12,13)
InChIKeyQZBODGMOPHYUET-UHFFFAOYSA-N
MW198.14 g/mol
LogP0.50
Rot. Bonds

About 2-(trifluoromethyl)piperazine-1-carboxylic acid

2-(trifluoromethyl)piperazine-1-carboxylic acid (PubChem CID 68728065) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)piperazine-1-carboxylic acid
PubChem CID68728065
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC Name2-(trifluoromethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCNCC1C(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)4-3-10-1-2-11(4)5(12)13/h4,10H,1-3H2,(H,12,13)
InChIKeyQZBODGMOPHYUET-UHFFFAOYSA-N
XLogP0.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)piperazine-1-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)piperazine-1-carboxylic acid (CID 68728065) is 2-(trifluoromethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)piperazine-1-carboxylic acid is O=C(O)N1CCNCC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)piperazine-1-carboxylic acid?
The InChIKey is QZBODGMOPHYUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c7-6(8,9)4-3-10-1-2-11(4)5(12)13/h4,10H,1-3H2,(H,12,13).
What are the key properties of 2-(trifluoromethyl)piperazine-1-carboxylic acid?
2-(trifluoromethyl)piperazine-1-carboxylic acid has a molecular weight of 198.14 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 68728065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).