3,6-dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine

C10H10Cl2F2N2 — CID 155268324

IUPAC3,6-dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine
SMILESCC(c1cc(Cl)nnc1Cl)C1CC(F)(F)C1
InChIInChI=1S/C10H10Cl2F2N2/c1-5(6-3-10(13,14)4-6)7-2-8(11)15-16-9(7)12/h2,5-6H,3-4H2,1H3
InChIKeyYHVORJSWRHUXIV-UHFFFAOYSA-N
MW267.11 g/mol
LogP3.93
Rot. Bonds2

About 3,6-dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine

3,6-dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine (PubChem CID 155268324) has the molecular formula C10H10Cl2F2N2 and a molecular weight of 267.11 g/mol. Its IUPAC name is 3,6-dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine
PubChem CID155268324
Molecular FormulaC10H10Cl2F2N2
Molecular Weight267.11 g/mol
Exact Mass266.02
IUPAC Name3,6-dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine
SMILESCC(c1cc(Cl)nnc1Cl)C1CC(F)(F)C1
InChIInChI=1S/C10H10Cl2F2N2/c1-5(6-3-10(13,14)4-6)7-2-8(11)15-16-9(7)12/h2,5-6H,3-4H2,1H3
InChIKeyYHVORJSWRHUXIV-UHFFFAOYSA-N
XLogP3.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 53.93
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
3,6-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
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-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine?
The IUPAC name of 3,6-dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine (CID 155268324) is 3,6-dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine.
What is the SMILES notation for 3,6-dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine?
The canonical SMILES for 3,6-dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine is CC(c1cc(Cl)nnc1Cl)C1CC(F)(F)C1.
What is the InChIKey of 3,6-dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine?
The InChIKey is YHVORJSWRHUXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F2N2/c1-5(6-3-10(13,14)4-6)7-2-8(11)15-16-9(7)12/h2,5-6H,3-4H2,1H3.
What are the key properties of 3,6-dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine?
3,6-dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine has a molecular weight of 267.11 g/mol, XLogP of 3.93, 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-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine is sourced from PubChem (CID 155268324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).