trifluoromethyl piperazine-1-carboxylate

C6H9F3N2O2 — CID 89286484

IUPACtrifluoromethyl piperazine-1-carboxylate
SMILESO=C(OC(F)(F)F)N1CCNCC1
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)13-5(12)11-3-1-10-2-4-11/h10H,1-4H2
InChIKeyYHPALHLWYKENFD-UHFFFAOYSA-N
MW198.14 g/mol
LogP0.55
Rot. Bonds

About trifluoromethyl piperazine-1-carboxylate

trifluoromethyl piperazine-1-carboxylate (PubChem CID 89286484) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is trifluoromethyl piperazine-1-carboxylate.

Molecular Properties

Compound Nametrifluoromethyl piperazine-1-carboxylate
PubChem CID89286484
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC Nametrifluoromethyl piperazine-1-carboxylate
SMILESO=C(OC(F)(F)F)N1CCNCC1
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)13-5(12)11-3-1-10-2-4-11/h10H,1-4H2
InChIKeyYHPALHLWYKENFD-UHFFFAOYSA-N
XLogP0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl piperazine-1-carboxylate?
The IUPAC name of trifluoromethyl piperazine-1-carboxylate (CID 89286484) is trifluoromethyl piperazine-1-carboxylate.
What is the SMILES notation for trifluoromethyl piperazine-1-carboxylate?
The canonical SMILES for trifluoromethyl piperazine-1-carboxylate is O=C(OC(F)(F)F)N1CCNCC1.
What is the InChIKey of trifluoromethyl piperazine-1-carboxylate?
The InChIKey is YHPALHLWYKENFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c7-6(8,9)13-5(12)11-3-1-10-2-4-11/h10H,1-4H2.
What are the key properties of trifluoromethyl piperazine-1-carboxylate?
trifluoromethyl piperazine-1-carboxylate has a molecular weight of 198.14 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl piperazine-1-carboxylate is sourced from PubChem (CID 89286484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).