1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol

C7H7F3N2O — CID 44514928

IUPAC1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol
SMILESOC(Cc1cccnn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(13)4-5-2-1-3-11-12-5/h1-3,6,13H,4H2
InChIKeyLEKRKYUQWRRTSG-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.94
Rot. Bonds2

About 1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol

1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol (PubChem CID 44514928) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol
PubChem CID44514928
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol
SMILESOC(Cc1cccnn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6(13)4-5-2-1-3-11-12-5/h1-3,6,13H,4H2
InChIKeyLEKRKYUQWRRTSG-UHFFFAOYSA-N
XLogP0.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol (CID 44514928) is 1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol is OC(Cc1cccnn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol?
The InChIKey is LEKRKYUQWRRTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)6(13)4-5-2-1-3-11-12-5/h1-3,6,13H,4H2.
What are the key properties of 1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol?
1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol has a molecular weight of 192.14 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-pyridazin-3-ylpropan-2-ol is sourced from PubChem (CID 44514928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).