4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine

C10H15FN2 — CID 59574677

IUPAC4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine
SMILESCC(c1ccnnc1F)C(C)(C)C
InChIInChI=1S/C10H15FN2/c1-7(10(2,3)4)8-5-6-12-13-9(8)11/h5-7H,1-4H3
InChIKeyXSUFAMOAEORIIJ-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.77
Rot. Bonds1

About 4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine

4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine (PubChem CID 59574677) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine.

Molecular Properties

Compound Name4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine
PubChem CID59574677
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine
SMILESCC(c1ccnnc1F)C(C)(C)C
InChIInChI=1S/C10H15FN2/c1-7(10(2,3)4)8-5-6-12-13-9(8)11/h5-7H,1-4H3
InChIKeyXSUFAMOAEORIIJ-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine?
The IUPAC name of 4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine (CID 59574677) is 4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine.
What is the SMILES notation for 4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine?
The canonical SMILES for 4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine is CC(c1ccnnc1F)C(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine?
The InChIKey is XSUFAMOAEORIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-7(10(2,3)4)8-5-6-12-13-9(8)11/h5-7H,1-4H3.
What are the key properties of 4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine?
4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine has a molecular weight of 182.24 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutan-2-yl)-3-fluoropyridazine is sourced from PubChem (CID 59574677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).