3,5-dichloro-4-(1,1-difluoroethyl)pyridazine

C6H4Cl2F2N2 — CID 118064171

IUPAC3,5-dichloro-4-(1,1-difluoroethyl)pyridazine
SMILESCC(F)(F)c1c(Cl)cnnc1Cl
InChIInChI=1S/C6H4Cl2F2N2/c1-6(9,10)4-3(7)2-11-12-5(4)8/h2H,1H3
InChIKeyGUQNJGCPVSOWAE-UHFFFAOYSA-N
MW213.01 g/mol
LogP2.90
Rot. Bonds1

About 3,5-dichloro-4-(1,1-difluoroethyl)pyridazine

3,5-dichloro-4-(1,1-difluoroethyl)pyridazine (PubChem CID 118064171) has the molecular formula C6H4Cl2F2N2 and a molecular weight of 213.01 g/mol. Its IUPAC name is 3,5-dichloro-4-(1,1-difluoroethyl)pyridazine.

Molecular Properties

Compound Name3,5-dichloro-4-(1,1-difluoroethyl)pyridazine
PubChem CID118064171
Molecular FormulaC6H4Cl2F2N2
Molecular Weight213.01 g/mol
Exact Mass211.97
IUPAC Name3,5-dichloro-4-(1,1-difluoroethyl)pyridazine
SMILESCC(F)(F)c1c(Cl)cnnc1Cl
InChIInChI=1S/C6H4Cl2F2N2/c1-6(9,10)4-3(7)2-11-12-5(4)8/h2H,1H3
InChIKeyGUQNJGCPVSOWAE-UHFFFAOYSA-N
XLogP2.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.01
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(1,1-difluoroethyl)pyridazine?
The IUPAC name of 3,5-dichloro-4-(1,1-difluoroethyl)pyridazine (CID 118064171) is 3,5-dichloro-4-(1,1-difluoroethyl)pyridazine.
What is the SMILES notation for 3,5-dichloro-4-(1,1-difluoroethyl)pyridazine?
The canonical SMILES for 3,5-dichloro-4-(1,1-difluoroethyl)pyridazine is CC(F)(F)c1c(Cl)cnnc1Cl.
What is the InChIKey of 3,5-dichloro-4-(1,1-difluoroethyl)pyridazine?
The InChIKey is GUQNJGCPVSOWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F2N2/c1-6(9,10)4-3(7)2-11-12-5(4)8/h2H,1H3.
What are the key properties of 3,5-dichloro-4-(1,1-difluoroethyl)pyridazine?
3,5-dichloro-4-(1,1-difluoroethyl)pyridazine has a molecular weight of 213.01 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(1,1-difluoroethyl)pyridazine is sourced from PubChem (CID 118064171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).