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

C11H21F3N4O — CID 63585197

IUPAC4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide
SMILESCC(CCC(=O)NN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4O/c1-9(2-3-10(19)16-15)18-6-4-17(5-7-18)8-11(12,13)14/h9H,2-8,15H2,1H3,(H,16,19)
InChIKeyKAXNFSGQDVONEM-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.32
Rot. Bonds5

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

4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide (PubChem CID 63585197) has the molecular formula C11H21F3N4O and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide.

Molecular Properties

Compound Name4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide
PubChem CID63585197
Molecular FormulaC11H21F3N4O
Molecular Weight282.31 g/mol
Exact Mass282.17
IUPAC Name4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide
SMILESCC(CCC(=O)NN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4O/c1-9(2-3-10(19)16-15)18-6-4-17(5-7-18)8-11(12,13)14/h9H,2-8,15H2,1H3,(H,16,19)
InChIKeyKAXNFSGQDVONEM-UHFFFAOYSA-N
XLogP0.32
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.32
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 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide?
The IUPAC name of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide (CID 63585197) is 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide.
What is the SMILES notation for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide?
The canonical SMILES for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide is CC(CCC(=O)NN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide?
The InChIKey is KAXNFSGQDVONEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O/c1-9(2-3-10(19)16-15)18-6-4-17(5-7-18)8-11(12,13)14/h9H,2-8,15H2,1H3,(H,16,19).
What are the key properties of 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide?
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide has a molecular weight of 282.31 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide is sourced from PubChem (CID 63585197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).