3,6-dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine

C11H15Cl2FN2 — CID 21281868

IUPAC3,6-dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine
SMILESCCCc1c(Cl)nnc(Cl)c1C(CC)CF
InChIInChI=1S/C11H15Cl2FN2/c1-3-5-8-9(7(4-2)6-14)11(13)16-15-10(8)12/h7H,3-6H2,1-2H3
InChIKeyHLENASZDPAZFJR-UHFFFAOYSA-N
MW265.16 g/mol
LogP4.20
Rot. Bonds5

About 3,6-dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine

3,6-dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine (PubChem CID 21281868) has the molecular formula C11H15Cl2FN2 and a molecular weight of 265.16 g/mol. Its IUPAC name is 3,6-dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine
PubChem CID21281868
Molecular FormulaC11H15Cl2FN2
Molecular Weight265.16 g/mol
Exact Mass264.06
IUPAC Name3,6-dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine
SMILESCCCc1c(Cl)nnc(Cl)c1C(CC)CF
InChIInChI=1S/C11H15Cl2FN2/c1-3-5-8-9(7(4-2)6-14)11(13)16-15-10(8)12/h7H,3-6H2,1-2H3
InChIKeyHLENASZDPAZFJR-UHFFFAOYSA-N
XLogP4.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine?
The IUPAC name of 3,6-dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine (CID 21281868) is 3,6-dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine.
What is the SMILES notation for 3,6-dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine?
The canonical SMILES for 3,6-dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine is CCCc1c(Cl)nnc(Cl)c1C(CC)CF.
What is the InChIKey of 3,6-dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine?
The InChIKey is HLENASZDPAZFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2FN2/c1-3-5-8-9(7(4-2)6-14)11(13)16-15-10(8)12/h7H,3-6H2,1-2H3.
What are the key properties of 3,6-dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine?
3,6-dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine has a molecular weight of 265.16 g/mol, XLogP of 4.20, 5 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-fluorobutan-2-yl)-5-propylpyridazine is sourced from PubChem (CID 21281868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).