3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine

C6H2ClF5N2 — CID 131444079

IUPAC3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine
SMILESFC(F)(F)C(F)(F)c1cnnc(Cl)c1
InChIInChI=1S/C6H2ClF5N2/c7-4-1-3(2-13-14-4)5(8,9)6(10,11)12/h1-2H
InChIKeySSUCOPIACIBZKJ-UHFFFAOYSA-N
MW232.54 g/mol
LogP2.78
Rot. Bonds1

About 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine

3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine (PubChem CID 131444079) has the molecular formula C6H2ClF5N2 and a molecular weight of 232.54 g/mol. Its IUPAC name is 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine
PubChem CID131444079
Molecular FormulaC6H2ClF5N2
Molecular Weight232.54 g/mol
Exact Mass231.98
IUPAC Name3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine
SMILESFC(F)(F)C(F)(F)c1cnnc(Cl)c1
InChIInChI=1S/C6H2ClF5N2/c7-4-1-3(2-13-14-4)5(8,9)6(10,11)12/h1-2H
InChIKeySSUCOPIACIBZKJ-UHFFFAOYSA-N
XLogP2.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.54
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine?
The IUPAC name of 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine (CID 131444079) is 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine.
What is the SMILES notation for 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine?
The canonical SMILES for 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine is FC(F)(F)C(F)(F)c1cnnc(Cl)c1.
What is the InChIKey of 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine?
The InChIKey is SSUCOPIACIBZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF5N2/c7-4-1-3(2-13-14-4)5(8,9)6(10,11)12/h1-2H.
What are the key properties of 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine?
3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine has a molecular weight of 232.54 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyridazine is sourced from PubChem (CID 131444079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).