1,1-difluoro-2-pyridazin-3-ylethanol

C6H6F2N2O — CID 173015556

IUPAC1,1-difluoro-2-pyridazin-3-ylethanol
SMILESOC(F)(F)Cc1cccnn1
InChIInChI=1S/C6H6F2N2O/c7-6(8,11)4-5-2-1-3-9-10-5/h1-3,11H,4H2
InChIKeySSVYDFLVTQDGOO-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.60
Rot. Bonds2

About 1,1-difluoro-2-pyridazin-3-ylethanol

1,1-difluoro-2-pyridazin-3-ylethanol (PubChem CID 173015556) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 1,1-difluoro-2-pyridazin-3-ylethanol.

Molecular Properties

Compound Name1,1-difluoro-2-pyridazin-3-ylethanol
PubChem CID173015556
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name1,1-difluoro-2-pyridazin-3-ylethanol
SMILESOC(F)(F)Cc1cccnn1
InChIInChI=1S/C6H6F2N2O/c7-6(8,11)4-5-2-1-3-9-10-5/h1-3,11H,4H2
InChIKeySSVYDFLVTQDGOO-UHFFFAOYSA-N
XLogP0.60
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-pyridazin-3-ylethanol?
The IUPAC name of 1,1-difluoro-2-pyridazin-3-ylethanol (CID 173015556) is 1,1-difluoro-2-pyridazin-3-ylethanol.
What is the SMILES notation for 1,1-difluoro-2-pyridazin-3-ylethanol?
The canonical SMILES for 1,1-difluoro-2-pyridazin-3-ylethanol is OC(F)(F)Cc1cccnn1.
What is the InChIKey of 1,1-difluoro-2-pyridazin-3-ylethanol?
The InChIKey is SSVYDFLVTQDGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c7-6(8,11)4-5-2-1-3-9-10-5/h1-3,11H,4H2.
What are the key properties of 1,1-difluoro-2-pyridazin-3-ylethanol?
1,1-difluoro-2-pyridazin-3-ylethanol has a molecular weight of 160.12 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-pyridazin-3-ylethanol is sourced from PubChem (CID 173015556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).