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

C11H5ClF4N2 — CID 107290372

IUPAC3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine
SMILESFc1cc(-c2ccc(Cl)nn2)ccc1C(F)(F)F
InChIInChI=1S/C11H5ClF4N2/c12-10-4-3-9(17-18-10)6-1-2-7(8(13)5-6)11(14,15)16/h1-5H
InChIKeyOCWBHYVYAUJVKD-UHFFFAOYSA-N
MW276.62 g/mol
LogP3.95
Rot. Bonds1

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

3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine (PubChem CID 107290372) has the molecular formula C11H5ClF4N2 and a molecular weight of 276.62 g/mol. Its IUPAC name is 3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine
PubChem CID107290372
Molecular FormulaC11H5ClF4N2
Molecular Weight276.62 g/mol
Exact Mass276.01
IUPAC Name3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine
SMILESFc1cc(-c2ccc(Cl)nn2)ccc1C(F)(F)F
InChIInChI=1S/C11H5ClF4N2/c12-10-4-3-9(17-18-10)6-1-2-7(8(13)5-6)11(14,15)16/h1-5H
InChIKeyOCWBHYVYAUJVKD-UHFFFAOYSA-N
XLogP3.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.62
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine
CID 107290472
3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine
CID 168867581
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
4-[4-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine
CID 88941861
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
CID 43583892
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 90440337
3-chloro-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridazine
CID 43583883
[2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 107289712
4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide
CID 90060790
2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine
CID 135293576

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine (CID 107290372) is 3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine is Fc1cc(-c2ccc(Cl)nn2)ccc1C(F)(F)F.
What is the InChIKey of 3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is OCWBHYVYAUJVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF4N2/c12-10-4-3-9(17-18-10)6-1-2-7(8(13)5-6)11(14,15)16/h1-5H.
What are the key properties of 3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine?
3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 276.62 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 107290372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).