4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol

C8H9F3N2O — CID 105104613

IUPAC4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol
SMILESOC(CCC(F)(F)F)c1ccnnc1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)3-1-7(14)6-2-4-12-13-5-6/h2,4-5,7,14H,1,3H2
InChIKeyONRDJPXIQRVMQH-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.85
Rot. Bonds3

About 4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol

4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol (PubChem CID 105104613) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol
PubChem CID105104613
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol
SMILESOC(CCC(F)(F)F)c1ccnnc1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)3-1-7(14)6-2-4-12-13-5-6/h2,4-5,7,14H,1,3H2
InChIKeyONRDJPXIQRVMQH-UHFFFAOYSA-N
XLogP1.85
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol (CID 105104613) is 4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol is OC(CCC(F)(F)F)c1ccnnc1.
What is the InChIKey of 4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol?
The InChIKey is ONRDJPXIQRVMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)3-1-7(14)6-2-4-12-13-5-6/h2,4-5,7,14H,1,3H2.
What are the key properties of 4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol?
4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol has a molecular weight of 206.17 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-pyridazin-4-ylbutan-1-ol is sourced from PubChem (CID 105104613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).