piperazine;2,2,2-trifluoroethanamine

C6H14F3N3 — CID 171928721

IUPACpiperazine;2,2,2-trifluoroethanamine
SMILESC1CNCCN1.NCC(F)(F)F
InChIInChI=1S/C4H10N2.C2H4F3N/c1-2-6-4-3-5-1;3-2(4,5)1-6/h5-6H,1-4H2;1,6H2
InChIKeyMGMADOULGJEXAS-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.31
Rot. Bonds

About piperazine;2,2,2-trifluoroethanamine

piperazine;2,2,2-trifluoroethanamine (PubChem CID 171928721) has the molecular formula C6H14F3N3 and a molecular weight of 185.19 g/mol. Its IUPAC name is piperazine;2,2,2-trifluoroethanamine.

Molecular Properties

Compound Namepiperazine;2,2,2-trifluoroethanamine
PubChem CID171928721
Molecular FormulaC6H14F3N3
Molecular Weight185.19 g/mol
Exact Mass185.11
IUPAC Namepiperazine;2,2,2-trifluoroethanamine
SMILESC1CNCCN1.NCC(F)(F)F
InChIInChI=1S/C4H10N2.C2H4F3N/c1-2-6-4-3-5-1;3-2(4,5)1-6/h5-6H,1-4H2;1,6H2
InChIKeyMGMADOULGJEXAS-UHFFFAOYSA-N
XLogP-0.31
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperazine;2,2,2-trifluoroethanamine?
The IUPAC name of piperazine;2,2,2-trifluoroethanamine (CID 171928721) is piperazine;2,2,2-trifluoroethanamine.
What is the SMILES notation for piperazine;2,2,2-trifluoroethanamine?
The canonical SMILES for piperazine;2,2,2-trifluoroethanamine is C1CNCCN1.NCC(F)(F)F.
What is the InChIKey of piperazine;2,2,2-trifluoroethanamine?
The InChIKey is MGMADOULGJEXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2H4F3N/c1-2-6-4-3-5-1;3-2(4,5)1-6/h5-6H,1-4H2;1,6H2.
What are the key properties of piperazine;2,2,2-trifluoroethanamine?
piperazine;2,2,2-trifluoroethanamine has a molecular weight of 185.19 g/mol, XLogP of -0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;2,2,2-trifluoroethanamine is sourced from PubChem (CID 171928721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).