3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine

C11H6ClF3N2O — CID 154125773

IUPAC3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine
SMILESFC(F)(F)c1ccc(Cl)c(Oc2cccnn2)c1
InChIInChI=1S/C11H6ClF3N2O/c12-8-4-3-7(11(13,14)15)6-9(8)18-10-2-1-5-16-17-10/h1-6H
InChIKeyLEWRIWUVIDODOR-UHFFFAOYSA-N
MW274.63 g/mol
LogP3.94
Rot. Bonds2

About 3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine

3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine (PubChem CID 154125773) has the molecular formula C11H6ClF3N2O and a molecular weight of 274.63 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine
PubChem CID154125773
Molecular FormulaC11H6ClF3N2O
Molecular Weight274.63 g/mol
Exact Mass274.01
IUPAC Name3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine
SMILESFC(F)(F)c1ccc(Cl)c(Oc2cccnn2)c1
InChIInChI=1S/C11H6ClF3N2O/c12-8-4-3-7(11(13,14)15)6-9(8)18-10-2-1-5-16-17-10/h1-6H
InChIKeyLEWRIWUVIDODOR-UHFFFAOYSA-N
XLogP3.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.63
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline
CID 82000159
2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine
CID 140995544
3-(2-chlorophenoxy)pyridazine
CID 154099494
CID 87363082
CID 87363082
1-chloro-2-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene
CID 166607807
3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine
CID 134106459
3-[2-chloro-5-(trifluoromethyl)phenoxy]benzoic acid
CID 19389250
3-(4-chlorophenoxy)pyridazine
CID 54052757
4-methyl-3-pyridazin-3-yloxyaniline
CID 62482845
2-[bromo-(2-methylphenyl)methoxy]-1-chloro-4-(trifluoromethyl)benzene
CID 67324705
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine
CID 114562020

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine (CID 154125773) is 3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine is FC(F)(F)c1ccc(Cl)c(Oc2cccnn2)c1.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine?
The InChIKey is LEWRIWUVIDODOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O/c12-8-4-3-7(11(13,14)15)6-9(8)18-10-2-1-5-16-17-10/h1-6H.
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine?
3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine has a molecular weight of 274.63 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine is sourced from PubChem (CID 154125773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).