piperazine-1-carboximidoyl fluoride

C5H10FN3 — CID 89319755

IUPACpiperazine-1-carboximidoyl fluoride
SMILES[H]/N=C(\F)N1CCNCC1
InChIInChI=1S/C5H10FN3/c6-5(7)9-3-1-8-2-4-9/h7-8H,1-4H2/b7-5+
InChIKeyWOMDUXSLPBDPJL-FNORWQNLSA-N
MW131.15 g/mol
LogP-0.20
Rot. Bonds

About piperazine-1-carboximidoyl fluoride

piperazine-1-carboximidoyl fluoride (PubChem CID 89319755) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is piperazine-1-carboximidoyl fluoride.

Molecular Properties

Compound Namepiperazine-1-carboximidoyl fluoride
PubChem CID89319755
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC Namepiperazine-1-carboximidoyl fluoride
SMILES[H]/N=C(\F)N1CCNCC1
InChIInChI=1S/C5H10FN3/c6-5(7)9-3-1-8-2-4-9/h7-8H,1-4H2/b7-5+
InChIKeyWOMDUXSLPBDPJL-FNORWQNLSA-N
XLogP-0.20
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperazine-1-carboximidoyl fluoride?
The IUPAC name of piperazine-1-carboximidoyl fluoride (CID 89319755) is piperazine-1-carboximidoyl fluoride.
What is the SMILES notation for piperazine-1-carboximidoyl fluoride?
The canonical SMILES for piperazine-1-carboximidoyl fluoride is [H]/N=C(\F)N1CCNCC1.
What is the InChIKey of piperazine-1-carboximidoyl fluoride?
The InChIKey is WOMDUXSLPBDPJL-FNORWQNLSA-N. The full InChI is InChI=1S/C5H10FN3/c6-5(7)9-3-1-8-2-4-9/h7-8H,1-4H2/b7-5+.
What are the key properties of piperazine-1-carboximidoyl fluoride?
piperazine-1-carboximidoyl fluoride has a molecular weight of 131.15 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1-carboximidoyl fluoride is sourced from PubChem (CID 89319755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).