3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine

C14H14BrFN2O — CID 22940180

IUPAC3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine
SMILESCC(C)(C)c1cccc(Br)c1Oc1ccc(F)nn1
InChIInChI=1S/C14H14BrFN2O/c1-14(2,3)9-5-4-6-10(15)13(9)19-12-8-7-11(16)17-18-12/h4-8H,1-3H3
InChIKeyMHJOXQUXOBGKSY-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.47
Rot. Bonds2

About 3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine

3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine (PubChem CID 22940180) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine.

Molecular Properties

Compound Name3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine
PubChem CID22940180
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine
SMILESCC(C)(C)c1cccc(Br)c1Oc1ccc(F)nn1
InChIInChI=1S/C14H14BrFN2O/c1-14(2,3)9-5-4-6-10(15)13(9)19-12-8-7-11(16)17-18-12/h4-8H,1-3H3
InChIKeyMHJOXQUXOBGKSY-UHFFFAOYSA-N
XLogP4.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine?
The IUPAC name of 3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine (CID 22940180) is 3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine.
What is the SMILES notation for 3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine?
The canonical SMILES for 3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine is CC(C)(C)c1cccc(Br)c1Oc1ccc(F)nn1.
What is the InChIKey of 3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine?
The InChIKey is MHJOXQUXOBGKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-14(2,3)9-5-4-6-10(15)13(9)19-12-8-7-11(16)17-18-12/h4-8H,1-3H3.
What are the key properties of 3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine?
3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine has a molecular weight of 325.18 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-tert-butylphenoxy)-6-fluoropyridazine is sourced from PubChem (CID 22940180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).