6-tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine

C11H16F2N2 — CID 121391290

IUPAC6-tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine
SMILESCc1nnc(C(C)(C)C)cc1C(C)(F)F
InChIInChI=1S/C11H16F2N2/c1-7-8(11(5,12)13)6-9(15-14-7)10(2,3)4/h6H,1-5H3
InChIKeyRBDGJCOZESMWPV-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.19
Rot. Bonds1

About 6-tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine

6-tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine (PubChem CID 121391290) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 6-tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine.

Molecular Properties

Compound Name6-tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine
PubChem CID121391290
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name6-tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine
SMILESCc1nnc(C(C)(C)C)cc1C(C)(F)F
InChIInChI=1S/C11H16F2N2/c1-7-8(11(5,12)13)6-9(15-14-7)10(2,3)4/h6H,1-5H3
InChIKeyRBDGJCOZESMWPV-UHFFFAOYSA-N
XLogP3.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
Pyridazine, 3,4,6-trimethyl-
CID 12440100
Pyridazine, 4-ethyl-3,6-dimethyl-
CID 143818473
1,2-Diazabenzocycloheptane, 3-methyl-
CID 101878952
3-Methyl-6-(1,2,2-trimethylcyclopentyl)pyridazine
CID 86178150
3-Methyl-6-phenylpyridazine
CID 11378744
3,6-Ditert-butylpyridazine
CID 14451140
3-Phenyl-6-propan-2-ylpyridazine
CID 18340644
3-Tert-butyl-5,6,7,8-tetrahydrocinnoline
CID 121391274
3-Tert-butyl-6-iodopyridazine
CID 146377266

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine?
The IUPAC name of 6-tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine (CID 121391290) is 6-tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine.
What is the SMILES notation for 6-tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine?
The canonical SMILES for 6-tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine is Cc1nnc(C(C)(C)C)cc1C(C)(F)F.
What is the InChIKey of 6-tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine?
The InChIKey is RBDGJCOZESMWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-7-8(11(5,12)13)6-9(15-14-7)10(2,3)4/h6H,1-5H3.
What are the key properties of 6-tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine?
6-tert-butyl-4-(1,1-difluoroethyl)-3-methylpyridazine has a molecular weight of 214.26 g/mol, XLogP of 3.19, 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-(1,1-difluoroethyl)-3-methylpyridazine is sourced from PubChem (CID 121391290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).