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

C17H9ClF4N2 — CID 142779110

IUPAC3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine
SMILESFc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c(Cl)nn2)cc1
InChIInChI=1S/C17H9ClF4N2/c18-16-14(10-1-5-12(6-2-10)17(20,21)22)9-15(23-24-16)11-3-7-13(19)8-4-11/h1-9H
InChIKeyOLPDMFBZWHCINF-UHFFFAOYSA-N
MW352.72 g/mol
LogP5.62
Rot. Bonds2

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

3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine (PubChem CID 142779110) has the molecular formula C17H9ClF4N2 and a molecular weight of 352.72 g/mol. Its IUPAC name is 3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine
PubChem CID142779110
Molecular FormulaC17H9ClF4N2
Molecular Weight352.72 g/mol
Exact Mass352.04
IUPAC Name3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine
SMILESFc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c(Cl)nn2)cc1
InChIInChI=1S/C17H9ClF4N2/c18-16-14(10-1-5-12(6-2-10)17(20,21)22)9-15(23-24-16)11-3-7-13(19)8-4-11/h1-9H
InChIKeyOLPDMFBZWHCINF-UHFFFAOYSA-N
XLogP5.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.72
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine
CID 119007781
2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine
CID 119000682
3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 131869828
2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66521037
2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46313326
2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468667
1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine
CID 159614211
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716554
2-chloro-5-fluoro-4-[4-(trifluoromethyl)phenyl]aniline
CID 171921674
5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline
CID 118801806
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468624

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine (CID 142779110) is 3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine is Fc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)c(Cl)nn2)cc1.
What is the InChIKey of 3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is OLPDMFBZWHCINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF4N2/c18-16-14(10-1-5-12(6-2-10)17(20,21)22)9-15(23-24-16)11-3-7-13(19)8-4-11/h1-9H.
What are the key properties of 3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine?
3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 352.72 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 142779110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).