2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol

C9H13F2N3O — CID 107484128

IUPAC2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol
SMILESCc1cnnc(N(CCO)CC(F)F)c1
InChIInChI=1S/C9H13F2N3O/c1-7-4-9(13-12-5-7)14(2-3-15)6-8(10)11/h4-5,8,15H,2-3,6H2,1H3
InChIKeyIZCCSIFXQDVWFC-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.85
Rot. Bonds5

About 2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol

2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol (PubChem CID 107484128) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol
PubChem CID107484128
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol
SMILESCc1cnnc(N(CCO)CC(F)F)c1
InChIInChI=1S/C9H13F2N3O/c1-7-4-9(13-12-5-7)14(2-3-15)6-8(10)11/h4-5,8,15H,2-3,6H2,1H3
InChIKeyIZCCSIFXQDVWFC-UHFFFAOYSA-N
XLogP0.85
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol (CID 107484128) is 2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol is Cc1cnnc(N(CCO)CC(F)F)c1.
What is the InChIKey of 2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol?
The InChIKey is IZCCSIFXQDVWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-7-4-9(13-12-5-7)14(2-3-15)6-8(10)11/h4-5,8,15H,2-3,6H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol?
2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol has a molecular weight of 217.22 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-(5-methylpyridazin-3-yl)amino]ethanol is sourced from PubChem (CID 107484128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).