chlorobenzene;4-(trifluoromethyl)pyridazine

C11H8ClF3N2 — CID 158916977

IUPACchlorobenzene;4-(trifluoromethyl)pyridazine
SMILESClc1ccccc1.FC(F)(F)c1ccnnc1
InChIInChI=1S/C6H5Cl.C5H3F3N2/c7-6-4-2-1-3-5-6;6-5(7,8)4-1-2-9-10-3-4/h1-5H;1-3H
InChIKeyJHIPVLKLDIPSHG-UHFFFAOYSA-N
MW260.65 g/mol
LogP3.84
Rot. Bonds

About chlorobenzene;4-(trifluoromethyl)pyridazine

chlorobenzene;4-(trifluoromethyl)pyridazine (PubChem CID 158916977) has the molecular formula C11H8ClF3N2 and a molecular weight of 260.65 g/mol. Its IUPAC name is chlorobenzene;4-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Namechlorobenzene;4-(trifluoromethyl)pyridazine
PubChem CID158916977
Molecular FormulaC11H8ClF3N2
Molecular Weight260.65 g/mol
Exact Mass260.03
IUPAC Namechlorobenzene;4-(trifluoromethyl)pyridazine
SMILESClc1ccccc1.FC(F)(F)c1ccnnc1
InChIInChI=1S/C6H5Cl.C5H3F3N2/c7-6-4-2-1-3-5-6;6-5(7,8)4-1-2-9-10-3-4/h1-5H;1-3H
InChIKeyJHIPVLKLDIPSHG-UHFFFAOYSA-N
XLogP3.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

chlorobenzene;trifluoromethylbenzene
CID 159341337
chlorobenzene;titanium(4+);tetrachloride
CID 173055118
benzene;chlorobenzene
CID 159657667
chlorobenzene;1,2-dichlorobenzene
CID 22250607
azane;chlorobenzene
CID 20560159
bismuthane;chlorobenzene
CID 174535973
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
chlorobenzene;3,3,3-trifluoroprop-1-ene
CID 158678902
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
potassium;chlorobenzene;hydride
CID 173115077
chlorobenzene;hydrazine
CID 69403092

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;4-(trifluoromethyl)pyridazine?
The IUPAC name of chlorobenzene;4-(trifluoromethyl)pyridazine (CID 158916977) is chlorobenzene;4-(trifluoromethyl)pyridazine.
What is the SMILES notation for chlorobenzene;4-(trifluoromethyl)pyridazine?
The canonical SMILES for chlorobenzene;4-(trifluoromethyl)pyridazine is Clc1ccccc1.FC(F)(F)c1ccnnc1.
What is the InChIKey of chlorobenzene;4-(trifluoromethyl)pyridazine?
The InChIKey is JHIPVLKLDIPSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.C5H3F3N2/c7-6-4-2-1-3-5-6;6-5(7,8)4-1-2-9-10-3-4/h1-5H;1-3H.
What are the key properties of chlorobenzene;4-(trifluoromethyl)pyridazine?
chlorobenzene;4-(trifluoromethyl)pyridazine has a molecular weight of 260.65 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;4-(trifluoromethyl)pyridazine is sourced from PubChem (CID 158916977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).