3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine

C14H15FN2O — CID 56706735

IUPAC3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine
SMILESCc1ccc(-c2c(F)cccc2OC(C)C)nn1
InChIInChI=1S/C14H15FN2O/c1-9(2)18-13-6-4-5-11(15)14(13)12-8-7-10(3)16-17-12/h4-9H,1-3H3
InChIKeyWHFHHLAOTOYSHD-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.38
Rot. Bonds3

About 3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine

3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine (PubChem CID 56706735) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine.

Molecular Properties

Compound Name3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine
PubChem CID56706735
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine
SMILESCc1ccc(-c2c(F)cccc2OC(C)C)nn1
InChIInChI=1S/C14H15FN2O/c1-9(2)18-13-6-4-5-11(15)14(13)12-8-7-10(3)16-17-12/h4-9H,1-3H3
InChIKeyWHFHHLAOTOYSHD-UHFFFAOYSA-N
XLogP3.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine?
The IUPAC name of 3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine (CID 56706735) is 3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine.
What is the SMILES notation for 3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine?
The canonical SMILES for 3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine is Cc1ccc(-c2c(F)cccc2OC(C)C)nn1.
What is the InChIKey of 3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine?
The InChIKey is WHFHHLAOTOYSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-9(2)18-13-6-4-5-11(15)14(13)12-8-7-10(3)16-17-12/h4-9H,1-3H3.
What are the key properties of 3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine?
3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine has a molecular weight of 246.28 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-propan-2-yloxyphenyl)-6-methylpyridazine is sourced from PubChem (CID 56706735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).