3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine

C11H4Cl2F4N2O — CID 102747092

IUPAC3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine
SMILESFc1ccc(Oc2cc(Cl)nnc2Cl)cc1C(F)(F)F
InChIInChI=1S/C11H4Cl2F4N2O/c12-9-4-8(10(13)19-18-9)20-5-1-2-7(14)6(3-5)11(15,16)17/h1-4H
InChIKeyHAKBUAZHUVWWCA-UHFFFAOYSA-N
MW327.06 g/mol
LogP4.73
Rot. Bonds2

About 3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine

3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine (PubChem CID 102747092) has the molecular formula C11H4Cl2F4N2O and a molecular weight of 327.06 g/mol. Its IUPAC name is 3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine
PubChem CID102747092
Molecular FormulaC11H4Cl2F4N2O
Molecular Weight327.06 g/mol
Exact Mass325.96
IUPAC Name3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine
SMILESFc1ccc(Oc2cc(Cl)nnc2Cl)cc1C(F)(F)F
InChIInChI=1S/C11H4Cl2F4N2O/c12-9-4-8(10(13)19-18-9)20-5-1-2-7(14)6(3-5)11(15,16)17/h1-4H
InChIKeyHAKBUAZHUVWWCA-UHFFFAOYSA-N
XLogP4.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.06
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746895
[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine
CID 102746859
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-methylpyrimidine;4,6-dichloro-5-methylpyrimidine
CID 157081646
5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 103583775
3-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboximidamide
CID 102747205
2-bromo-4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 86637885
6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 102746921
3-chloro-6-[4-chloro-3-(trifluoromethyl)phenoxy]pyridazine
CID 154125386
[4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 43528649
6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 102747823
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine
CID 11360535
5-[[4-fluoro-3-(trifluoromethyl)phenoxy]methyl]-1,3,4-thiadiazol-2-amine
CID 102747332

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine?
The IUPAC name of 3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine (CID 102747092) is 3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine.
What is the SMILES notation for 3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine?
The canonical SMILES for 3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine is Fc1ccc(Oc2cc(Cl)nnc2Cl)cc1C(F)(F)F.
What is the InChIKey of 3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine?
The InChIKey is HAKBUAZHUVWWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2F4N2O/c12-9-4-8(10(13)19-18-9)20-5-1-2-7(14)6(3-5)11(15,16)17/h1-4H.
What are the key properties of 3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine?
3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine has a molecular weight of 327.06 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridazine is sourced from PubChem (CID 102747092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).