2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol

C9H9F6N3O — CID 107484538

IUPAC2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol
SMILESOCCN(CC(F)(F)F)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C9H9F6N3O/c10-8(11,12)5-18(3-4-19)7-2-1-6(16-17-7)9(13,14)15/h1-2,19H,3-5H2
InChIKeySCUWQQRULHSHAB-UHFFFAOYSA-N
MW289.18 g/mol
LogP1.86
Rot. Bonds4

About 2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol

2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol (PubChem CID 107484538) has the molecular formula C9H9F6N3O and a molecular weight of 289.18 g/mol. Its IUPAC name is 2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol
PubChem CID107484538
Molecular FormulaC9H9F6N3O
Molecular Weight289.18 g/mol
Exact Mass289.06
IUPAC Name2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol
SMILESOCCN(CC(F)(F)F)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C9H9F6N3O/c10-8(11,12)5-18(3-4-19)7-2-1-6(16-17-7)9(13,14)15/h1-2,19H,3-5H2
InChIKeySCUWQQRULHSHAB-UHFFFAOYSA-N
XLogP1.86
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol
CID 115875659
2-[(5-amino-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478357
2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484659
2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481493
2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol
CID 115875730
2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107480595
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
2-[bis(2-hydroxyethyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877516
2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495365
2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481548
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495464
2-[(5,6-diethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484546

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol?
The IUPAC name of 2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol (CID 107484538) is 2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol?
The canonical SMILES for 2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol is OCCN(CC(F)(F)F)c1ccc(C(F)(F)F)nn1.
What is the InChIKey of 2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol?
The InChIKey is SCUWQQRULHSHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3O/c10-8(11,12)5-18(3-4-19)7-2-1-6(16-17-7)9(13,14)15/h1-2,19H,3-5H2.
What are the key properties of 2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol?
2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol has a molecular weight of 289.18 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol is sourced from PubChem (CID 107484538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).