3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine

C9H8Cl2F2N2 — CID 146801809

IUPAC3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine
SMILESCC(F)(F)C1CC1c1cc(Cl)nnc1Cl
InChIInChI=1S/C9H8Cl2F2N2/c1-9(12,13)6-2-4(6)5-3-7(10)14-15-8(5)11/h3-4,6H,2H2,1H3
InChIKeyRYBDJXCEJXLJGQ-UHFFFAOYSA-N
MW253.08 g/mol
LogP3.54
Rot. Bonds2

About 3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine

3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine (PubChem CID 146801809) has the molecular formula C9H8Cl2F2N2 and a molecular weight of 253.08 g/mol. Its IUPAC name is 3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine
PubChem CID146801809
Molecular FormulaC9H8Cl2F2N2
Molecular Weight253.08 g/mol
Exact Mass252.00
IUPAC Name3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine
SMILESCC(F)(F)C1CC1c1cc(Cl)nnc1Cl
InChIInChI=1S/C9H8Cl2F2N2/c1-9(12,13)6-2-4(6)5-3-7(10)14-15-8(5)11/h3-4,6H,2H2,1H3
InChIKeyRYBDJXCEJXLJGQ-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 53.54
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-[4-(trifluoromethyl)phenyl]-
CID 21865297
3,6-Dichloro-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 81766435
3-Chloro-6-cyclopropyl-4-(trifluoromethyl)pyridazine
CID 16228742
3,6-Dichloro-4-isopropylpyridazine
CID 14024162
3,6-Dichloro-4-(4-chlorobutyl)pyridazine
CID 183698
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-(1-fluorobutan-2-yl)-5-propylpyridazine
CID 21281868
3,6-Dichloro-4-(2-fluorocyclopropyl)pyridazine
CID 21281894
3,6-Dichloro-4-(4,4-difluoro-1-methylcyclohexyl)pyridazine
CID 22609918
3,6-Dichloro-4-(4-fluoro-1-methylcyclohex-3-en-1-yl)pyridazine
CID 22609930

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine?
The IUPAC name of 3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine (CID 146801809) is 3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine.
What is the SMILES notation for 3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine?
The canonical SMILES for 3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine is CC(F)(F)C1CC1c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine?
The InChIKey is RYBDJXCEJXLJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F2N2/c1-9(12,13)6-2-4(6)5-3-7(10)14-15-8(5)11/h3-4,6H,2H2,1H3.
What are the key properties of 3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine?
3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine has a molecular weight of 253.08 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine is sourced from PubChem (CID 146801809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).