piperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone

C10H19F3N4O — CID 160973908

IUPACpiperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone
SMILESC1CNCCN1.O=C(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O.C4H10N2/c7-6(8,9)5(12)11-3-1-10-2-4-11;1-2-6-4-3-5-1/h10H,1-4H2;5-6H,1-4H2
InChIKeySYPOSHUCJSYZKY-UHFFFAOYSA-N
MW268.28 g/mol
LogP-0.84
Rot. Bonds

About piperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone

piperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone (PubChem CID 160973908) has the molecular formula C10H19F3N4O and a molecular weight of 268.28 g/mol. Its IUPAC name is piperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone.

Molecular Properties

Compound Namepiperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone
PubChem CID160973908
Molecular FormulaC10H19F3N4O
Molecular Weight268.28 g/mol
Exact Mass268.15
IUPAC Namepiperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone
SMILESC1CNCCN1.O=C(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O.C4H10N2/c7-6(8,9)5(12)11-3-1-10-2-4-11;1-2-6-4-3-5-1/h10H,1-4H2;5-6H,1-4H2
InChIKeySYPOSHUCJSYZKY-UHFFFAOYSA-N
XLogP-0.84
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone?
The IUPAC name of piperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone (CID 160973908) is piperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone.
What is the SMILES notation for piperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone?
The canonical SMILES for piperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone is C1CNCCN1.O=C(N1CCNCC1)C(F)(F)F.
What is the InChIKey of piperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone?
The InChIKey is SYPOSHUCJSYZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O.C4H10N2/c7-6(8,9)5(12)11-3-1-10-2-4-11;1-2-6-4-3-5-1/h10H,1-4H2;5-6H,1-4H2.
What are the key properties of piperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone?
piperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone has a molecular weight of 268.28 g/mol, XLogP of -0.84, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;2,2,2-trifluoro-1-piperazin-1-ylethanone is sourced from PubChem (CID 160973908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).