3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine

C11H12Cl2F2N2 — CID 22609918

IUPAC3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine
SMILESCC1(c2cc(Cl)nnc2Cl)CCC(F)(F)CC1
InChIInChI=1S/C11H12Cl2F2N2/c1-10(2-4-11(14,15)5-3-10)7-6-8(12)16-17-9(7)13/h6H,2-5H2,1H3
InChIKeyBIZFYNHAUDYZOQ-UHFFFAOYSA-N
MW281.13 g/mol
LogP4.25
Rot. Bonds1

About 3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine

3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine (PubChem CID 22609918) has the molecular formula C11H12Cl2F2N2 and a molecular weight of 281.13 g/mol. Its IUPAC name is 3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine
PubChem CID22609918
Molecular FormulaC11H12Cl2F2N2
Molecular Weight281.13 g/mol
Exact Mass280.03
IUPAC Name3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine
SMILESCC1(c2cc(Cl)nnc2Cl)CCC(F)(F)CC1
InChIInChI=1S/C11H12Cl2F2N2/c1-10(2-4-11(14,15)5-3-10)7-6-8(12)16-17-9(7)13/h6H,2-5H2,1H3
InChIKeyBIZFYNHAUDYZOQ-UHFFFAOYSA-N
XLogP4.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-Butyl-3,6-dichloropyridazine
CID 89846
Pyridazine, 3,6-dichloro-4-(2-chloro-1,1-dimethylethyl)-
CID 163783
Pyridazine, 4-(2-bromo-1,1-dimethylethyl)-3,6-dichloro-
CID 163784
Pyridazine, 3,6-dichloro-4-[4-(trifluoromethyl)phenyl]-
CID 21865297
3,6-Dichloro-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 81766435
3,6-Dichloro-4-isopropylpyridazine
CID 14024162
3,6-Dichloro-4-(4-chlorobutyl)pyridazine
CID 183698
Pyridazine, 3,6-dichloro-4-(2-iodo-1,1-dimethylethyl)-
CID 183945
Pyridazine, 3,6-dichloro-4-(1,1-dimethylpropyl)-
CID 189332
3,6-Dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine
CID 14349829
3,6-Dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine
CID 22609930
3,6-Dichloro-4-[4-(fluoromethyl)cyclohex-3-en-1-yl]pyridazine
CID 87417031

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine (CID 22609918) is 3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine is CC1(c2cc(Cl)nnc2Cl)CCC(F)(F)CC1.
What is the InChIKey of 3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine?
The InChIKey is BIZFYNHAUDYZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F2N2/c1-10(2-4-11(14,15)5-3-10)7-6-8(12)16-17-9(7)13/h6H,2-5H2,1H3.
What are the key properties of 3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine?
3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine has a molecular weight of 281.13 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine is sourced from PubChem (CID 22609918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).