5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one

C12H16F2N2O — CID 166843522

IUPAC5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one
SMILESCCc1cc(C(C)C2CC(F)(F)C2)c(=O)[nH]n1
InChIInChI=1S/C12H16F2N2O/c1-3-9-4-10(11(17)16-15-9)7(2)8-5-12(13,14)6-8/h4,7-8H,3,5-6H2,1-2H3,(H,16,17)
InChIKeyQGGVGTIDTNXKFP-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.48
Rot. Bonds3

About 5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one

5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one (PubChem CID 166843522) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one
PubChem CID166843522
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one
SMILESCCc1cc(C(C)C2CC(F)(F)C2)c(=O)[nH]n1
InChIInChI=1S/C12H16F2N2O/c1-3-9-4-10(11(17)16-15-9)7(2)8-5-12(13,14)6-8/h4,7-8H,3,5-6H2,1-2H3,(H,16,17)
InChIKeyQGGVGTIDTNXKFP-UHFFFAOYSA-N
XLogP2.48
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one?
The IUPAC name of 5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one (CID 166843522) is 5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one is CCc1cc(C(C)C2CC(F)(F)C2)c(=O)[nH]n1.
What is the InChIKey of 5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one?
The InChIKey is QGGVGTIDTNXKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-3-9-4-10(11(17)16-15-9)7(2)8-5-12(13,14)6-8/h4,7-8H,3,5-6H2,1-2H3,(H,16,17).
What are the key properties of 5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one?
5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one has a molecular weight of 242.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,3-difluorocyclobutyl)ethyl]-3-ethyl-1H-pyridazin-6-one is sourced from PubChem (CID 166843522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).