2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one

C17H11ClF2N2O — CID 163211144

IUPAC2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one
SMILESC=C(C)c1nn(-c2c(F)cccc2Cl)c(=O)c2cc(F)ccc12
InChIInChI=1S/C17H11ClF2N2O/c1-9(2)15-11-7-6-10(19)8-12(11)17(23)22(21-15)16-13(18)4-3-5-14(16)20/h3-8H,1H2,2H3
InChIKeyJWAKCEUYHVHSRJ-UHFFFAOYSA-N
MW332.74 g/mol
LogP4.35
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one

2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one (PubChem CID 163211144) has the molecular formula C17H11ClF2N2O and a molecular weight of 332.74 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one
PubChem CID163211144
Molecular FormulaC17H11ClF2N2O
Molecular Weight332.74 g/mol
Exact Mass332.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one
SMILESC=C(C)c1nn(-c2c(F)cccc2Cl)c(=O)c2cc(F)ccc12
InChIInChI=1S/C17H11ClF2N2O/c1-9(2)15-11-7-6-10(19)8-12(11)17(23)22(21-15)16-13(18)4-3-5-14(16)20/h3-8H,1H2,2H3
InChIKeyJWAKCEUYHVHSRJ-UHFFFAOYSA-N
XLogP4.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one (CID 163211144) is 2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one is C=C(C)c1nn(-c2c(F)cccc2Cl)c(=O)c2cc(F)ccc12.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one?
The InChIKey is JWAKCEUYHVHSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2O/c1-9(2)15-11-7-6-10(19)8-12(11)17(23)22(21-15)16-13(18)4-3-5-14(16)20/h3-8H,1H2,2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one?
2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one has a molecular weight of 332.74 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-7-fluoro-4-prop-1-en-2-ylphthalazin-1-one is sourced from PubChem (CID 163211144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).