6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine

C12H19FN2 — CID 121391283

IUPAC6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine
SMILESCc1nnc(C(C)(C)C)cc1C(C)(C)F
InChIInChI=1S/C12H19FN2/c1-8-9(12(5,6)13)7-10(15-14-8)11(2,3)4/h7H,1-6H3
InChIKeyKVELHWKUVZEHMM-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.29
Rot. Bonds1

About 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine

6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine (PubChem CID 121391283) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine.

Molecular Properties

Compound Name6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine
PubChem CID121391283
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine
SMILESCc1nnc(C(C)(C)C)cc1C(C)(C)F
InChIInChI=1S/C12H19FN2/c1-8-9(12(5,6)13)7-10(15-14-8)11(2,3)4/h7H,1-6H3
InChIKeyKVELHWKUVZEHMM-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine?
The IUPAC name of 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine (CID 121391283) is 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine.
What is the SMILES notation for 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine?
The canonical SMILES for 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine is Cc1nnc(C(C)(C)C)cc1C(C)(C)F.
What is the InChIKey of 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine?
The InChIKey is KVELHWKUVZEHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-8-9(12(5,6)13)7-10(15-14-8)11(2,3)4/h7H,1-6H3.
What are the key properties of 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine?
6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine has a molecular weight of 210.30 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(2-fluoropropan-2-yl)-3-methylpyridazine is sourced from PubChem (CID 121391283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).