8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one

C11H12FN3O — CID 175872979

IUPAC8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one
SMILESCN[C@H](C)c1n[nH]c(=O)c2c(F)cccc12
InChIInChI=1S/C11H12FN3O/c1-6(13-2)10-7-4-3-5-8(12)9(7)11(16)15-14-10/h3-6,13H,1-2H3,(H,15,16)/t6-/m1/s1
InChIKeyABNUUHKEJYOAHV-ZCFIWIBFSA-N
MW221.23 g/mol
LogP1.34
Rot. Bonds2

About 8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one

8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one (PubChem CID 175872979) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one
PubChem CID175872979
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one
SMILESCN[C@H](C)c1n[nH]c(=O)c2c(F)cccc12
InChIInChI=1S/C11H12FN3O/c1-6(13-2)10-7-4-3-5-8(12)9(7)11(16)15-14-10/h3-6,13H,1-2H3,(H,15,16)/t6-/m1/s1
InChIKeyABNUUHKEJYOAHV-ZCFIWIBFSA-N
XLogP1.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one?
The IUPAC name of 8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one (CID 175872979) is 8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one.
What is the SMILES notation for 8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one?
The canonical SMILES for 8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one is CN[C@H](C)c1n[nH]c(=O)c2c(F)cccc12.
What is the InChIKey of 8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one?
The InChIKey is ABNUUHKEJYOAHV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-6(13-2)10-7-4-3-5-8(12)9(7)11(16)15-14-10/h3-6,13H,1-2H3,(H,15,16)/t6-/m1/s1.
What are the key properties of 8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one?
8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one has a molecular weight of 221.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one is sourced from PubChem (CID 175872979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).