4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine

C12H9ClF2N2O — CID 150900916

IUPAC4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine
SMILESCc1cccc(C(F)F)c1Oc1nnccc1Cl
InChIInChI=1S/C12H9ClF2N2O/c1-7-3-2-4-8(11(14)15)10(7)18-12-9(13)5-6-16-17-12/h2-6,11H,1H3
InChIKeyKZZJCQBBBQDBTB-UHFFFAOYSA-N
MW270.67 g/mol
LogP4.17
Rot. Bonds3

About 4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine

4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine (PubChem CID 150900916) has the molecular formula C12H9ClF2N2O and a molecular weight of 270.67 g/mol. Its IUPAC name is 4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine.

Molecular Properties

Compound Name4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine
PubChem CID150900916
Molecular FormulaC12H9ClF2N2O
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine
SMILESCc1cccc(C(F)F)c1Oc1nnccc1Cl
InChIInChI=1S/C12H9ClF2N2O/c1-7-3-2-4-8(11(14)15)10(7)18-12-9(13)5-6-16-17-12/h2-6,11H,1H3
InChIKeyKZZJCQBBBQDBTB-UHFFFAOYSA-N
XLogP4.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine?
The IUPAC name of 4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine (CID 150900916) is 4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine.
What is the SMILES notation for 4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine?
The canonical SMILES for 4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine is Cc1cccc(C(F)F)c1Oc1nnccc1Cl.
What is the InChIKey of 4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine?
The InChIKey is KZZJCQBBBQDBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O/c1-7-3-2-4-8(11(14)15)10(7)18-12-9(13)5-6-16-17-12/h2-6,11H,1H3.
What are the key properties of 4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine?
4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine has a molecular weight of 270.67 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine is sourced from PubChem (CID 150900916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).