3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine

C14H15FN2O — CID 163255075

IUPAC3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine
SMILESCC(C)c1cc(OCc2cccnn2)ccc1F
InChIInChI=1S/C14H15FN2O/c1-10(2)13-8-12(5-6-14(13)15)18-9-11-4-3-7-16-17-11/h3-8,10H,9H2,1-2H3
InChIKeyFGJAJOGPTFUHHE-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.32
Rot. Bonds4

About 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine

3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine (PubChem CID 163255075) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine.

Molecular Properties

Compound Name3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine
PubChem CID163255075
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine
SMILESCC(C)c1cc(OCc2cccnn2)ccc1F
InChIInChI=1S/C14H15FN2O/c1-10(2)13-8-12(5-6-14(13)15)18-9-11-4-3-7-16-17-11/h3-8,10H,9H2,1-2H3
InChIKeyFGJAJOGPTFUHHE-UHFFFAOYSA-N
XLogP3.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine?
The IUPAC name of 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine (CID 163255075) is 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine.
What is the SMILES notation for 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine?
The canonical SMILES for 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine is CC(C)c1cc(OCc2cccnn2)ccc1F.
What is the InChIKey of 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine?
The InChIKey is FGJAJOGPTFUHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10(2)13-8-12(5-6-14(13)15)18-9-11-4-3-7-16-17-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine?
3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine has a molecular weight of 246.28 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine is sourced from PubChem (CID 163255075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).