3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine

C12H8F4N2O — CID 19959661

IUPAC3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCOc1cc(-c2cccc(C(F)(F)F)c2)nnc1F
InChIInChI=1S/C12H8F4N2O/c1-19-10-6-9(17-18-11(10)13)7-3-2-4-8(5-7)12(14,15)16/h2-6H,1H3
InChIKeyYHZPFSOIJSTVGN-UHFFFAOYSA-N
MW272.20 g/mol
LogP3.31
Rot. Bonds2

About 3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine

3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine (PubChem CID 19959661) has the molecular formula C12H8F4N2O and a molecular weight of 272.20 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine
PubChem CID19959661
Molecular FormulaC12H8F4N2O
Molecular Weight272.20 g/mol
Exact Mass272.06
IUPAC Name3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCOc1cc(-c2cccc(C(F)(F)F)c2)nnc1F
InChIInChI=1S/C12H8F4N2O/c1-19-10-6-9(17-18-11(10)13)7-3-2-4-8(5-7)12(14,15)16/h2-6H,1H3
InChIKeyYHZPFSOIJSTVGN-UHFFFAOYSA-N
XLogP3.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-3-phenoxy-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76334654
3-(3,5-Difluorophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76323851
3-(4-Fluorophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76327409
3-(2-Fluorophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76331083
3-[(4-Fluorophenyl)methyl]-6-methoxypyridazine
CID 45276200
4,6-Dimethoxy-3-phenylpyridazine
CID 2786918
3-Methoxy-6-(2-methoxyphenyl)pyridazine
CID 58838917
3-(2-Fluoro-6-isopropoxyphenyl)-6-methylpyridazine
CID 56706735
3-(4-Fluoro-2-methoxyphenyl)-6-methoxypyridazine
CID 56707609
3-(Difluoromethoxy)-6-(4-pentylphenyl)pyridazine
CID 6412190
5-Methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine
CID 11831960
3-[4-(Trifluoromethyl)phenyl]-6-methoxypyridazine
CID 16743327

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine (CID 19959661) is 3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine is COc1cc(-c2cccc(C(F)(F)F)c2)nnc1F.
What is the InChIKey of 3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is YHZPFSOIJSTVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O/c1-19-10-6-9(17-18-11(10)13)7-3-2-4-8(5-7)12(14,15)16/h2-6H,1H3.
What are the key properties of 3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine?
3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 272.20 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 19959661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).