N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine

C13H9F6N3O — CID 133434247

IUPACN-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)COc1ccc(Nc2ccc(C(F)(F)F)nn2)cc1
InChIInChI=1S/C13H9F6N3O/c14-12(15,16)7-23-9-3-1-8(2-4-9)20-11-6-5-10(21-22-11)13(17,18)19/h1-6H,7H2,(H,20,22)
InChIKeyYQTVXMMIFPKWLT-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.18
Rot. Bonds4

About N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133434247) has the molecular formula C13H9F6N3O and a molecular weight of 337.22 g/mol. Its IUPAC name is N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133434247
Molecular FormulaC13H9F6N3O
Molecular Weight337.22 g/mol
Exact Mass337.06
IUPAC NameN-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)COc1ccc(Nc2ccc(C(F)(F)F)nn2)cc1
InChIInChI=1S/C13H9F6N3O/c14-12(15,16)7-23-9-3-1-8(2-4-9)20-11-6-5-10(21-22-11)13(17,18)19/h1-6H,7H2,(H,20,22)
InChIKeyYQTVXMMIFPKWLT-UHFFFAOYSA-N
XLogP4.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
CID 133391829
3-methyl-N-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]phenyl]butanamide
CID 133433466
N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 43425654
6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile
CID 133418635
N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline
CID 103438948
acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
CID 143388365
N-(3-methylbutan-2-yl)-4-(2,2,2-trifluoroethoxy)aniline
CID 43686735
N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 126478513
N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline
CID 43686729
N-butan-2-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 43686731
N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113048460
CID 89284542
CID 89284542

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 133434247) is N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)COc1ccc(Nc2ccc(C(F)(F)F)nn2)cc1.
What is the InChIKey of N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is YQTVXMMIFPKWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6N3O/c14-12(15,16)7-23-9-3-1-8(2-4-9)20-11-6-5-10(21-22-11)13(17,18)19/h1-6H,7H2,(H,20,22).
What are the key properties of N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 337.22 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133434247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).