1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol

C9H9F3N2O — CID 163274476

IUPAC1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol
SMILESOC1(c2ccc(C(F)(F)F)nn2)CCC1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7-3-2-6(13-14-7)8(15)4-1-5-8/h2-3,15H,1,4-5H2
InChIKeyKUCSYHCFCCYGBT-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.87
Rot. Bonds1

About 1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol

1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol (PubChem CID 163274476) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol
PubChem CID163274476
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol
SMILESOC1(c2ccc(C(F)(F)F)nn2)CCC1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7-3-2-6(13-14-7)8(15)4-1-5-8/h2-3,15H,1,4-5H2
InChIKeyKUCSYHCFCCYGBT-UHFFFAOYSA-N
XLogP1.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol?
The IUPAC name of 1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol (CID 163274476) is 1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol is OC1(c2ccc(C(F)(F)F)nn2)CCC1.
What is the InChIKey of 1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol?
The InChIKey is KUCSYHCFCCYGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)7-3-2-6(13-14-7)8(15)4-1-5-8/h2-3,15H,1,4-5H2.
What are the key properties of 1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol?
1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol has a molecular weight of 218.18 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)pyridazin-3-yl]cyclobutan-1-ol is sourced from PubChem (CID 163274476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).