6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one

C12H14F2N2O — CID 167253847

IUPAC6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C2=CCC(F)(F)CC2)ccc1=O
InChIInChI=1S/C12H14F2N2O/c1-2-16-11(17)4-3-10(15-16)9-5-7-12(13,14)8-6-9/h3-5H,2,6-8H2,1H3
InChIKeyWDZOBTCCRMJVGT-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.47
Rot. Bonds2

About 6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one

6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one (PubChem CID 167253847) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one
PubChem CID167253847
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C2=CCC(F)(F)CC2)ccc1=O
InChIInChI=1S/C12H14F2N2O/c1-2-16-11(17)4-3-10(15-16)9-5-7-12(13,14)8-6-9/h3-5H,2,6-8H2,1H3
InChIKeyWDZOBTCCRMJVGT-UHFFFAOYSA-N
XLogP2.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one (CID 167253847) is 6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one is CCn1nc(C2=CCC(F)(F)CC2)ccc1=O.
What is the InChIKey of 6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one?
The InChIKey is WDZOBTCCRMJVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-2-16-11(17)4-3-10(15-16)9-5-7-12(13,14)8-6-9/h3-5H,2,6-8H2,1H3.
What are the key properties of 6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one?
6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one has a molecular weight of 240.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 167253847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).