2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one

C9H13FN2O — CID 170175302

IUPAC2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one
SMILESCC(C)c1ccc(=O)n(C(C)F)n1
InChIInChI=1S/C9H13FN2O/c1-6(2)8-4-5-9(13)12(11-8)7(3)10/h4-7H,1-3H3
InChIKeyVUPXHNBSZJJQHW-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.85
Rot. Bonds2

About 2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one

2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one (PubChem CID 170175302) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one
PubChem CID170175302
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one
SMILESCC(C)c1ccc(=O)n(C(C)F)n1
InChIInChI=1S/C9H13FN2O/c1-6(2)8-4-5-9(13)12(11-8)7(3)10/h4-7H,1-3H3
InChIKeyVUPXHNBSZJJQHW-UHFFFAOYSA-N
XLogP1.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one (CID 170175302) is 2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one is CC(C)c1ccc(=O)n(C(C)F)n1.
What is the InChIKey of 2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one?
The InChIKey is VUPXHNBSZJJQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-6(2)8-4-5-9(13)12(11-8)7(3)10/h4-7H,1-3H3.
What are the key properties of 2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one?
2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one has a molecular weight of 184.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 170175302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).