4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine

C10H14F2N2 — CID 130284913

IUPAC4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine
SMILESCc1nnc(C(C)C)cc1C(C)(F)F
InChIInChI=1S/C10H14F2N2/c1-6(2)9-5-8(10(4,11)12)7(3)13-14-9/h5-6H,1-4H3
InChIKeyQAAMKMRRSPBSJL-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.02
Rot. Bonds2

About 4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine

4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine (PubChem CID 130284913) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine
PubChem CID130284913
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine
SMILESCc1nnc(C(C)C)cc1C(C)(F)F
InChIInChI=1S/C10H14F2N2/c1-6(2)9-5-8(10(4,11)12)7(3)13-14-9/h5-6H,1-4H3
InChIKeyQAAMKMRRSPBSJL-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.02
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
US10221162, Example 765.0
CID 122702377
6-Methyl-3,4-diphenylpyridazine
CID 6411990
3-Chloro-6-methyl-4-(trifluoromethyl)pyridazine
CID 12027514
3-Chloro-6-(propan-2-yl)-4-(trifluoromethyl)pyridazine
CID 97180481
3-Chloro-4-methyl-6-(trifluoromethyl)pyridazine
CID 130683165
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

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine?
The IUPAC name of 4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine (CID 130284913) is 4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine.
What is the SMILES notation for 4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine?
The canonical SMILES for 4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine is Cc1nnc(C(C)C)cc1C(C)(F)F.
What is the InChIKey of 4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine?
The InChIKey is QAAMKMRRSPBSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-6(2)9-5-8(10(4,11)12)7(3)13-14-9/h5-6H,1-4H3.
What are the key properties of 4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine?
4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine has a molecular weight of 200.23 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-3-methyl-6-propan-2-ylpyridazine is sourced from PubChem (CID 130284913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).