2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide

C8H15F3N4O — CID 63584268

IUPAC2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide
SMILESNNC(=O)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N4O/c9-8(10,11)6-15-3-1-14(2-4-15)5-7(16)13-12/h1-6,12H2,(H,13,16)
InChIKeyLHXYIOVIRWIJHA-UHFFFAOYSA-N
MW240.23 g/mol
LogP-0.84
Rot. Bonds3

About 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide

2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide (PubChem CID 63584268) has the molecular formula C8H15F3N4O and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide
PubChem CID63584268
Molecular FormulaC8H15F3N4O
Molecular Weight240.23 g/mol
Exact Mass240.12
IUPAC Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide
SMILESNNC(=O)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N4O/c9-8(10,11)6-15-3-1-14(2-4-15)5-7(16)13-12/h1-6,12H2,(H,13,16)
InChIKeyLHXYIOVIRWIJHA-UHFFFAOYSA-N
XLogP-0.84
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide?
The IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide (CID 63584268) is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide is NNC(=O)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide?
The InChIKey is LHXYIOVIRWIJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N4O/c9-8(10,11)6-15-3-1-14(2-4-15)5-7(16)13-12/h1-6,12H2,(H,13,16).
What are the key properties of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide?
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide has a molecular weight of 240.23 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetohydrazide is sourced from PubChem (CID 63584268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).