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

C9H17F3N4O — CID 63584267

IUPAC2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
SMILESCC(C(=O)NN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N4O/c1-7(8(17)14-13)16-4-2-15(3-5-16)6-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,17)
InChIKeyWLQRHLPWWGCYAX-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.46
Rot. Bonds3

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

2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide (PubChem CID 63584267) has the molecular formula C9H17F3N4O and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
PubChem CID63584267
Molecular FormulaC9H17F3N4O
Molecular Weight254.26 g/mol
Exact Mass254.14
IUPAC Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
SMILESCC(C(=O)NN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N4O/c1-7(8(17)14-13)16-4-2-15(3-5-16)6-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,17)
InChIKeyWLQRHLPWWGCYAX-UHFFFAOYSA-N
XLogP-0.46
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.46
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]propanehydrazide?
The IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide (CID 63584267) is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide is CC(C(=O)NN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide?
The InChIKey is WLQRHLPWWGCYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N4O/c1-7(8(17)14-13)16-4-2-15(3-5-16)6-9(10,11)12/h7H,2-6,13H2,1H3,(H,14,17).
What are the key properties of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide?
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide has a molecular weight of 254.26 g/mol, XLogP of -0.46, 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]propanehydrazide is sourced from PubChem (CID 63584267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).