3-tert-butyl-5-(1,1-difluoroethyl)pyridazine

C10H14F2N2 — CID 58305841

IUPAC3-tert-butyl-5-(1,1-difluoroethyl)pyridazine
SMILESCC(C)(C)c1cc(C(C)(F)F)cnn1
InChIInChI=1S/C10H14F2N2/c1-9(2,3)8-5-7(6-13-14-8)10(4,11)12/h5-6H,1-4H3
InChIKeyDXGSQTUQADQVBP-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.89
Rot. Bonds1

About 3-tert-butyl-5-(1,1-difluoroethyl)pyridazine

3-tert-butyl-5-(1,1-difluoroethyl)pyridazine (PubChem CID 58305841) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-tert-butyl-5-(1,1-difluoroethyl)pyridazine.

Molecular Properties

Compound Name3-tert-butyl-5-(1,1-difluoroethyl)pyridazine
PubChem CID58305841
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name3-tert-butyl-5-(1,1-difluoroethyl)pyridazine
SMILESCC(C)(C)c1cc(C(C)(F)F)cnn1
InChIInChI=1S/C10H14F2N2/c1-9(2,3)8-5-7(6-13-14-8)10(4,11)12/h5-6H,1-4H3
InChIKeyDXGSQTUQADQVBP-UHFFFAOYSA-N
XLogP2.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(1,1-difluoroethyl)pyridazine?
The IUPAC name of 3-tert-butyl-5-(1,1-difluoroethyl)pyridazine (CID 58305841) is 3-tert-butyl-5-(1,1-difluoroethyl)pyridazine.
What is the SMILES notation for 3-tert-butyl-5-(1,1-difluoroethyl)pyridazine?
The canonical SMILES for 3-tert-butyl-5-(1,1-difluoroethyl)pyridazine is CC(C)(C)c1cc(C(C)(F)F)cnn1.
What is the InChIKey of 3-tert-butyl-5-(1,1-difluoroethyl)pyridazine?
The InChIKey is DXGSQTUQADQVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-9(2,3)8-5-7(6-13-14-8)10(4,11)12/h5-6H,1-4H3.
What are the key properties of 3-tert-butyl-5-(1,1-difluoroethyl)pyridazine?
3-tert-butyl-5-(1,1-difluoroethyl)pyridazine has a molecular weight of 200.23 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(1,1-difluoroethyl)pyridazine is sourced from PubChem (CID 58305841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).