5-(2-fluoropropan-2-yl)-3-methylpyridazine

C8H11FN2 — CID 135170655

IUPAC5-(2-fluoropropan-2-yl)-3-methylpyridazine
SMILESCc1cc(C(C)(C)F)cnn1
InChIInChI=1S/C8H11FN2/c1-6-4-7(5-10-11-6)8(2,3)9/h4-5H,1-3H3
InChIKeyHISDNENSSDFNKV-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.99
Rot. Bonds1

About 5-(2-fluoropropan-2-yl)-3-methylpyridazine

5-(2-fluoropropan-2-yl)-3-methylpyridazine (PubChem CID 135170655) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-3-methylpyridazine.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-3-methylpyridazine
PubChem CID135170655
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name5-(2-fluoropropan-2-yl)-3-methylpyridazine
SMILESCc1cc(C(C)(C)F)cnn1
InChIInChI=1S/C8H11FN2/c1-6-4-7(5-10-11-6)8(2,3)9/h4-5H,1-3H3
InChIKeyHISDNENSSDFNKV-UHFFFAOYSA-N
XLogP1.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Phenylpyridazine
CID 193499
3-Methylpyridazine
CID 74208
3-Methyl-5-phenylpyridazine
CID 2736934
3,5-Diphenylpyridazine
CID 10443943
3,4-Dimethylpyridazine
CID 12440095
4-Phenylpyridazine
CID 6401329
4-Styrylpyridazine
CID 5371671
4-[(E)-2-(2-fluorophenyl)ethenyl]pyridazine
CID 6327980
3-Ethenylpyridazine
CID 12344719
3-(Trifluoromethyl)pyridazine
CID 20691951
3-Ethynyl-5-methylpyridazine
CID 131704162
3-Ethynyl-4-methylpyridazine
CID 146291001

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-3-methylpyridazine?
The IUPAC name of 5-(2-fluoropropan-2-yl)-3-methylpyridazine (CID 135170655) is 5-(2-fluoropropan-2-yl)-3-methylpyridazine.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-3-methylpyridazine?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-3-methylpyridazine is Cc1cc(C(C)(C)F)cnn1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-3-methylpyridazine?
The InChIKey is HISDNENSSDFNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-6-4-7(5-10-11-6)8(2,3)9/h4-5H,1-3H3.
What are the key properties of 5-(2-fluoropropan-2-yl)-3-methylpyridazine?
5-(2-fluoropropan-2-yl)-3-methylpyridazine has a molecular weight of 154.19 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-3-methylpyridazine is sourced from PubChem (CID 135170655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).