1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide

C8H12F3N3O2 — CID 82275209

IUPAC1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide
SMILESNNC(=O)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)7(16)14-3-1-2-5(4-14)6(15)13-12/h5H,1-4,12H2,(H,13,15)
InChIKeyBWVKEWHOZAFUED-UHFFFAOYSA-N
MW239.20 g/mol
LogP-0.22
Rot. Bonds1

About 1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide

1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide (PubChem CID 82275209) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide
PubChem CID82275209
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide
SMILESNNC(=O)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)7(16)14-3-1-2-5(4-14)6(15)13-12/h5H,1-4,12H2,(H,13,15)
InChIKeyBWVKEWHOZAFUED-UHFFFAOYSA-N
XLogP-0.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide (CID 82275209) is 1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide is NNC(=O)C1CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide?
The InChIKey is BWVKEWHOZAFUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c9-8(10,11)7(16)14-3-1-2-5(4-14)6(15)13-12/h5H,1-4,12H2,(H,13,15).
What are the key properties of 1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide?
1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide has a molecular weight of 239.20 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 82275209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).