6-fluoro-2-propan-2-ylphthalazin-1-one

C11H11FN2O — CID 125456255

IUPAC6-fluoro-2-propan-2-ylphthalazin-1-one
SMILESCC(C)n1ncc2cc(F)ccc2c1=O
InChIInChI=1S/C11H11FN2O/c1-7(2)14-11(15)10-4-3-9(12)5-8(10)6-13-14/h3-7H,1-2H3
InChIKeyGUXPWXRZLBCMIK-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.12
Rot. Bonds1

About 6-fluoro-2-propan-2-ylphthalazin-1-one

6-fluoro-2-propan-2-ylphthalazin-1-one (PubChem CID 125456255) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 6-fluoro-2-propan-2-ylphthalazin-1-one.

Molecular Properties

Compound Name6-fluoro-2-propan-2-ylphthalazin-1-one
PubChem CID125456255
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name6-fluoro-2-propan-2-ylphthalazin-1-one
SMILESCC(C)n1ncc2cc(F)ccc2c1=O
InChIInChI=1S/C11H11FN2O/c1-7(2)14-11(15)10-4-3-9(12)5-8(10)6-13-14/h3-7H,1-2H3
InChIKeyGUXPWXRZLBCMIK-UHFFFAOYSA-N
XLogP2.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-propan-2-ylphthalazin-1-one?
The IUPAC name of 6-fluoro-2-propan-2-ylphthalazin-1-one (CID 125456255) is 6-fluoro-2-propan-2-ylphthalazin-1-one.
What is the SMILES notation for 6-fluoro-2-propan-2-ylphthalazin-1-one?
The canonical SMILES for 6-fluoro-2-propan-2-ylphthalazin-1-one is CC(C)n1ncc2cc(F)ccc2c1=O.
What is the InChIKey of 6-fluoro-2-propan-2-ylphthalazin-1-one?
The InChIKey is GUXPWXRZLBCMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7(2)14-11(15)10-4-3-9(12)5-8(10)6-13-14/h3-7H,1-2H3.
What are the key properties of 6-fluoro-2-propan-2-ylphthalazin-1-one?
6-fluoro-2-propan-2-ylphthalazin-1-one has a molecular weight of 206.22 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-propan-2-ylphthalazin-1-one is sourced from PubChem (CID 125456255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).