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

C8H11FN2 — CID 90457075

IUPAC3-(2-fluoropropan-2-yl)-5-methylpyridazine
SMILESCc1cnnc(C(C)(C)F)c1
InChIInChI=1S/C8H11FN2/c1-6-4-7(8(2,3)9)11-10-5-6/h4-5H,1-3H3
InChIKeyLKERDKGZTDYCKO-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.99
Rot. Bonds1

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

3-(2-fluoropropan-2-yl)-5-methylpyridazine (PubChem CID 90457075) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-5-methylpyridazine.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-5-methylpyridazine
PubChem CID90457075
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name3-(2-fluoropropan-2-yl)-5-methylpyridazine
SMILESCc1cnnc(C(C)(C)F)c1
InChIInChI=1S/C8H11FN2/c1-6-4-7(8(2,3)9)11-10-5-6/h4-5H,1-3H3
InChIKeyLKERDKGZTDYCKO-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

Analyze 3-(2-fluoropropan-2-yl)-5-methylpyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-5-methylpyridazine?
The IUPAC name of 3-(2-fluoropropan-2-yl)-5-methylpyridazine (CID 90457075) is 3-(2-fluoropropan-2-yl)-5-methylpyridazine.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-5-methylpyridazine?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-5-methylpyridazine is Cc1cnnc(C(C)(C)F)c1.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-5-methylpyridazine?
The InChIKey is LKERDKGZTDYCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-6-4-7(8(2,3)9)11-10-5-6/h4-5H,1-3H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-5-methylpyridazine?
3-(2-fluoropropan-2-yl)-5-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 3-(2-fluoropropan-2-yl)-5-methylpyridazine is sourced from PubChem (CID 90457075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).