4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine

C11H17FN2 — CID 123989490

IUPAC4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine
SMILESCc1nnc(C(C)C)cc1C(C)(C)F
InChIInChI=1S/C11H17FN2/c1-7(2)10-6-9(11(4,5)12)8(3)13-14-10/h6-7H,1-5H3
InChIKeyBYUBRRFWYNIWSR-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.11
Rot. Bonds2

About 4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine

4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine (PubChem CID 123989490) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine
PubChem CID123989490
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine
SMILESCc1nnc(C(C)C)cc1C(C)(C)F
InChIInChI=1S/C11H17FN2/c1-7(2)10-6-9(11(4,5)12)8(3)13-14-10/h6-7H,1-5H3
InChIKeyBYUBRRFWYNIWSR-UHFFFAOYSA-N
XLogP3.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-3,6-diphenylpyridazine
CID 6401437
3,6-Diphenylpyridazine
CID 6401331
Pyridazine, 3,6-bis(4-methylphenyl)-
CID 12230350
US10221162, Example 765.0
CID 122702377
6-Methyl-3,4-diphenylpyridazine
CID 6411990
3-Chloro-6-(propan-2-yl)-4-(trifluoromethyl)pyridazine
CID 97180481
4-Methyl-3,6-bis(trifluoromethyl)pyridazine
CID 71374916
3-Methyl-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 10537871
3,6-Bis(p-fluorophenyl)pyridazine
CID 85621692
Pyridazine, 3-ethyl-6-methyl-
CID 12440085
Pyridazine, 3,4,6-trimethyl-
CID 12440100
Tetramethylpyridazine
CID 12750033

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine?
The IUPAC name of 4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine (CID 123989490) is 4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine is Cc1nnc(C(C)C)cc1C(C)(C)F.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine?
The InChIKey is BYUBRRFWYNIWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-7(2)10-6-9(11(4,5)12)8(3)13-14-10/h6-7H,1-5H3.
What are the key properties of 4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine?
4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine has a molecular weight of 196.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-3-methyl-6-propan-2-ylpyridazine is sourced from PubChem (CID 123989490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).