(1-fluoropiperazin-2-yl) formate

C5H9FN2O2 — CID 144766424

IUPAC(1-fluoropiperazin-2-yl) formate
SMILESO=COC1CNCCN1F
InChIInChI=1S/C5H9FN2O2/c6-8-2-1-7-3-5(8)10-4-9/h4-5,7H,1-3H2
InChIKeyBSVNZADGVAQWGB-UHFFFAOYSA-N
MW148.14 g/mol
LogP-0.72
Rot. Bonds2

About (1-fluoropiperazin-2-yl) formate

(1-fluoropiperazin-2-yl) formate (PubChem CID 144766424) has the molecular formula C5H9FN2O2 and a molecular weight of 148.14 g/mol. Its IUPAC name is (1-fluoropiperazin-2-yl) formate.

Molecular Properties

Compound Name(1-fluoropiperazin-2-yl) formate
PubChem CID144766424
Molecular FormulaC5H9FN2O2
Molecular Weight148.14 g/mol
Exact Mass148.06
IUPAC Name(1-fluoropiperazin-2-yl) formate
SMILESO=COC1CNCCN1F
InChIInChI=1S/C5H9FN2O2/c6-8-2-1-7-3-5(8)10-4-9/h4-5,7H,1-3H2
InChIKeyBSVNZADGVAQWGB-UHFFFAOYSA-N
XLogP-0.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-fluoropiperazin-2-yl) formate?
The IUPAC name of (1-fluoropiperazin-2-yl) formate (CID 144766424) is (1-fluoropiperazin-2-yl) formate.
What is the SMILES notation for (1-fluoropiperazin-2-yl) formate?
The canonical SMILES for (1-fluoropiperazin-2-yl) formate is O=COC1CNCCN1F.
What is the InChIKey of (1-fluoropiperazin-2-yl) formate?
The InChIKey is BSVNZADGVAQWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O2/c6-8-2-1-7-3-5(8)10-4-9/h4-5,7H,1-3H2.
What are the key properties of (1-fluoropiperazin-2-yl) formate?
(1-fluoropiperazin-2-yl) formate has a molecular weight of 148.14 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoropiperazin-2-yl) formate is sourced from PubChem (CID 144766424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).