piperazine;2,2,2-trifluoroacetic acid

C6H11F3N2O2 — CID 54600171

IUPACpiperazine;2,2,2-trifluoroacetic acid
SMILESC1CNCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.C2HF3O2/c1-2-6-4-3-5-1;3-2(4,5)1(6)7/h5-6H,1-4H2;(H,6,7)
InChIKeyMZMOYVCDPQCUOP-UHFFFAOYSA-N
MW200.16 g/mol
LogP-0.19
Rot. Bonds

About piperazine;2,2,2-trifluoroacetic acid

piperazine;2,2,2-trifluoroacetic acid (PubChem CID 54600171) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is piperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepiperazine;2,2,2-trifluoroacetic acid
PubChem CID54600171
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC Namepiperazine;2,2,2-trifluoroacetic acid
SMILESC1CNCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.C2HF3O2/c1-2-6-4-3-5-1;3-2(4,5)1(6)7/h5-6H,1-4H2;(H,6,7)
InChIKeyMZMOYVCDPQCUOP-UHFFFAOYSA-N
XLogP-0.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Heptafluorobutanoic acid--piperazine (1/1)
CID 54603110
Piperazinessigsaure
CID 6713366
1-Piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 21836546
Piperazin-4-ium trifluoroacetate salt
CID 21903395
2-Piperazin-1-ylacetonitrile;2,2,2-trifluoroacetic acid
CID 21936036
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 56850458
Piperazin-1-yl 2,2,2-trifluoroacetate
CID 57256971
Piperazine-1-carboxamide trifluoroacetate salt
CID 66857628
1-Methylpiperazin-1-ium;2,2,2-trifluoroacetate
CID 67339379
Piperazin-2-one 2,2,2-trifluoroacetate
CID 67358098
1,2-Dimethylpiperazine trifluoroacetic acid salt
CID 68440467
2-Piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid
CID 68655172

Frequently Asked Questions

What is the IUPAC name of piperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of piperazine;2,2,2-trifluoroacetic acid (CID 54600171) is piperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for piperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for piperazine;2,2,2-trifluoroacetic acid is C1CNCCN1.O=C(O)C(F)(F)F.
What is the InChIKey of piperazine;2,2,2-trifluoroacetic acid?
The InChIKey is MZMOYVCDPQCUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2HF3O2/c1-2-6-4-3-5-1;3-2(4,5)1(6)7/h5-6H,1-4H2;(H,6,7).
What are the key properties of piperazine;2,2,2-trifluoroacetic acid?
piperazine;2,2,2-trifluoroacetic acid has a molecular weight of 200.16 g/mol, XLogP of -0.19, 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-trifluoroacetic acid is sourced from PubChem (CID 54600171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).