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

C12H8Cl2F2N2O — CID 22940133

IUPAC4,6-dichloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine
SMILESCc1cccc(C(F)F)c1Oc1nnc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2F2N2O/c1-6-3-2-4-7(11(15)16)10(6)19-12-8(13)5-9(14)17-18-12/h2-5,11H,1H3
InChIKeyRLZGXKGOUIEPFC-UHFFFAOYSA-N
MW305.11 g/mol
LogP4.82
Rot. Bonds3

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

4,6-dichloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine (PubChem CID 22940133) has the molecular formula C12H8Cl2F2N2O and a molecular weight of 305.11 g/mol. Its IUPAC name is 4,6-dichloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine.

Molecular Properties

Compound Name4,6-dichloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine
PubChem CID22940133
Molecular FormulaC12H8Cl2F2N2O
Molecular Weight305.11 g/mol
Exact Mass304.00
IUPAC Name4,6-dichloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine
SMILESCc1cccc(C(F)F)c1Oc1nnc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2F2N2O/c1-6-3-2-4-7(11(15)16)10(6)19-12-8(13)5-9(14)17-18-12/h2-5,11H,1H3
InChIKeyRLZGXKGOUIEPFC-UHFFFAOYSA-N
XLogP4.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.11
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine?
The IUPAC name of 4,6-dichloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine (CID 22940133) is 4,6-dichloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine.
What is the SMILES notation for 4,6-dichloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine?
The canonical SMILES for 4,6-dichloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine is Cc1cccc(C(F)F)c1Oc1nnc(Cl)cc1Cl.
What is the InChIKey of 4,6-dichloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine?
The InChIKey is RLZGXKGOUIEPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2N2O/c1-6-3-2-4-7(11(15)16)10(6)19-12-8(13)5-9(14)17-18-12/h2-5,11H,1H3.
What are the key properties of 4,6-dichloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine?
4,6-dichloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine has a molecular weight of 305.11 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-[2-(difluoromethyl)-6-methylphenoxy]pyridazine is sourced from PubChem (CID 22940133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).