2-[3-(trifluoromethyl)phenyl]phthalazin-1-one

C15H9F3N2O — CID 2380587

IUPAC2-[3-(trifluoromethyl)phenyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)11-5-3-6-12(8-11)20-14(21)13-7-2-1-4-10(13)9-19-20/h1-9H
InChIKeySGZCKRZBJJRUSN-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.40
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]phthalazin-1-one

2-[3-(trifluoromethyl)phenyl]phthalazin-1-one (PubChem CID 2380587) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]phthalazin-1-one
PubChem CID2380587
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name2-[3-(trifluoromethyl)phenyl]phthalazin-1-one
SMILESO=c1c2ccccc2cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)11-5-3-6-12(8-11)20-14(21)13-7-2-1-4-10(13)9-19-20/h1-9H
InChIKeySGZCKRZBJJRUSN-UHFFFAOYSA-N
XLogP3.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]phthalazin-1-one?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]phthalazin-1-one (CID 2380587) is 2-[3-(trifluoromethyl)phenyl]phthalazin-1-one.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]phthalazin-1-one?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]phthalazin-1-one is O=c1c2ccccc2cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]phthalazin-1-one?
The InChIKey is SGZCKRZBJJRUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)11-5-3-6-12(8-11)20-14(21)13-7-2-1-4-10(13)9-19-20/h1-9H.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]phthalazin-1-one?
2-[3-(trifluoromethyl)phenyl]phthalazin-1-one has a molecular weight of 290.24 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]phthalazin-1-one is sourced from PubChem (CID 2380587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).