[6-(trifluoromethyl)pyridazin-4-yl] formate

C6H3F3N2O2 — CID 135195996

IUPAC[6-(trifluoromethyl)pyridazin-4-yl] formate
SMILESO=COc1cnnc(C(F)(F)F)c1
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)5-1-4(13-3-12)2-10-11-5/h1-3H
InChIKeyDPPSCQAIOXMZPI-UHFFFAOYSA-N
MW192.10 g/mol
LogP1.03
Rot. Bonds2

About [6-(trifluoromethyl)pyridazin-4-yl] formate

[6-(trifluoromethyl)pyridazin-4-yl] formate (PubChem CID 135195996) has the molecular formula C6H3F3N2O2 and a molecular weight of 192.10 g/mol. Its IUPAC name is [6-(trifluoromethyl)pyridazin-4-yl] formate.

Molecular Properties

Compound Name[6-(trifluoromethyl)pyridazin-4-yl] formate
PubChem CID135195996
Molecular FormulaC6H3F3N2O2
Molecular Weight192.10 g/mol
Exact Mass192.01
IUPAC Name[6-(trifluoromethyl)pyridazin-4-yl] formate
SMILESO=COc1cnnc(C(F)(F)F)c1
InChIInChI=1S/C6H3F3N2O2/c7-6(8,9)5-1-4(13-3-12)2-10-11-5/h1-3H
InChIKeyDPPSCQAIOXMZPI-UHFFFAOYSA-N
XLogP1.03
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)pyridazin-4-yl] formate?
The IUPAC name of [6-(trifluoromethyl)pyridazin-4-yl] formate (CID 135195996) is [6-(trifluoromethyl)pyridazin-4-yl] formate.
What is the SMILES notation for [6-(trifluoromethyl)pyridazin-4-yl] formate?
The canonical SMILES for [6-(trifluoromethyl)pyridazin-4-yl] formate is O=COc1cnnc(C(F)(F)F)c1.
What is the InChIKey of [6-(trifluoromethyl)pyridazin-4-yl] formate?
The InChIKey is DPPSCQAIOXMZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O2/c7-6(8,9)5-1-4(13-3-12)2-10-11-5/h1-3H.
What are the key properties of [6-(trifluoromethyl)pyridazin-4-yl] formate?
[6-(trifluoromethyl)pyridazin-4-yl] formate has a molecular weight of 192.10 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)pyridazin-4-yl] formate is sourced from PubChem (CID 135195996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).