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

C11H15Cl2FN2 — CID 88671298

IUPAC3,6-dichloro-4-[(2S)-1-fluorobutan-2-yl]-5-propylpyridazine
SMILESCCCc1c(Cl)nnc(Cl)c1[C@H](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/t7-/m1/s1
InChIKeyHLENASZDPAZFJR-SSDOTTSWSA-N
MW265.16 g/mol
LogP4.20
Rot. Bonds5

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

3,6-dichloro-4-[(2S)-1-fluorobutan-2-yl]-5-propylpyridazine (PubChem CID 88671298) has the molecular formula C11H15Cl2FN2 and a molecular weight of 265.16 g/mol. Its IUPAC name is 3,6-dichloro-4-[(2S)-1-fluorobutan-2-yl]-5-propylpyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-[(2S)-1-fluorobutan-2-yl]-5-propylpyridazine
PubChem CID88671298
Molecular FormulaC11H15Cl2FN2
Molecular Weight265.16 g/mol
Exact Mass264.06
IUPAC Name3,6-dichloro-4-[(2S)-1-fluorobutan-2-yl]-5-propylpyridazine
SMILESCCCc1c(Cl)nnc(Cl)c1[C@H](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/t7-/m1/s1
InChIKeyHLENASZDPAZFJR-SSDOTTSWSA-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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Related Compounds

1,4-dichloro-5H,6H,7H-cyclopenta[d]pyridazine
CID 15401908
1,4-Dichloro-5,6,7,8-tetrahydro-5,8-ethanophthalazine
CID 6416107
1,4-Dichloro-5,6,7,8-tetrahydrophthalazine
CID 12622440
3,6-Dichloro-4-methyl-5-(2,2,2-trifluoroethyl)pyridazine
CID 145864852
3,6-Dichloro-4-(1-fluorobutan-2-yl)-5-propylpyridazine
CID 21281868
3,6-Dichloro-4-[4-(fluoromethyl)cyclohex-3-en-1-yl]pyridazine
CID 87417031
3,6-Dichloro-4-(3-fluoro-2-methylpropyl)pyridazine
CID 88671537
3-Chloro-6-fluoro-4-(3-methylnonan-3-yl)pyridazine
CID 146377379
3,6-Dichloro-4-[2-(1,1-difluoroethyl)cyclopropyl]pyridazine
CID 146801809
3,6-Dichloro-4-(3,3-difluorocyclopentyl)pyridazine
CID 147740993
3,6-Dichloro-4-(1-fluorocyclopentyl)pyridazine
CID 155268287
3,6-Dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine
CID 155268324

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-[(2S)-1-fluorobutan-2-yl]-5-propylpyridazine?
The IUPAC name of 3,6-dichloro-4-[(2S)-1-fluorobutan-2-yl]-5-propylpyridazine (CID 88671298) is 3,6-dichloro-4-[(2S)-1-fluorobutan-2-yl]-5-propylpyridazine.
What is the SMILES notation for 3,6-dichloro-4-[(2S)-1-fluorobutan-2-yl]-5-propylpyridazine?
The canonical SMILES for 3,6-dichloro-4-[(2S)-1-fluorobutan-2-yl]-5-propylpyridazine is CCCc1c(Cl)nnc(Cl)c1[C@H](CC)CF.
What is the InChIKey of 3,6-dichloro-4-[(2S)-1-fluorobutan-2-yl]-5-propylpyridazine?
The InChIKey is HLENASZDPAZFJR-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of 3,6-dichloro-4-[(2S)-1-fluorobutan-2-yl]-5-propylpyridazine?
3,6-dichloro-4-[(2S)-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-[(2S)-1-fluorobutan-2-yl]-5-propylpyridazine is sourced from PubChem (CID 88671298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).