1-(2-fluoroethyl)-4-nitrosopiperazine

C6H12FN3O — CID 175651507

IUPAC1-(2-fluoroethyl)-4-nitrosopiperazine
SMILESO=NN1CCN(CCF)CC1
InChIInChI=1S/C6H12FN3O/c7-1-2-9-3-5-10(8-11)6-4-9/h1-6H2
InChIKeyRYBUOPAJBCICSF-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.25
Rot. Bonds3

About 1-(2-fluoroethyl)-4-nitrosopiperazine

1-(2-fluoroethyl)-4-nitrosopiperazine (PubChem CID 175651507) has the molecular formula C6H12FN3O and a molecular weight of 161.18 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-nitrosopiperazine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-nitrosopiperazine
PubChem CID175651507
Molecular FormulaC6H12FN3O
Molecular Weight161.18 g/mol
Exact Mass161.10
IUPAC Name1-(2-fluoroethyl)-4-nitrosopiperazine
SMILESO=NN1CCN(CCF)CC1
InChIInChI=1S/C6H12FN3O/c7-1-2-9-3-5-10(8-11)6-4-9/h1-6H2
InChIKeyRYBUOPAJBCICSF-UHFFFAOYSA-N
XLogP0.25
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-nitrosopiperazine?
The IUPAC name of 1-(2-fluoroethyl)-4-nitrosopiperazine (CID 175651507) is 1-(2-fluoroethyl)-4-nitrosopiperazine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-nitrosopiperazine?
The canonical SMILES for 1-(2-fluoroethyl)-4-nitrosopiperazine is O=NN1CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-nitrosopiperazine?
The InChIKey is RYBUOPAJBCICSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN3O/c7-1-2-9-3-5-10(8-11)6-4-9/h1-6H2.
What are the key properties of 1-(2-fluoroethyl)-4-nitrosopiperazine?
1-(2-fluoroethyl)-4-nitrosopiperazine has a molecular weight of 161.18 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-nitrosopiperazine is sourced from PubChem (CID 175651507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).