4-(3,4-difluorophenyl)-4H-phthalazin-1-one

C14H8F2N2O — CID 52984179

IUPAC4-(3,4-difluorophenyl)-4H-phthalazin-1-one
SMILESO=C1N=NC(c2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C14H8F2N2O/c15-11-6-5-8(7-12(11)16)13-9-3-1-2-4-10(9)14(19)18-17-13/h1-7,13H
InChIKeySRBSUHOLLFLDGD-UHFFFAOYSA-N
MW258.23 g/mol
LogP3.66
Rot. Bonds1

About 4-(3,4-difluorophenyl)-4H-phthalazin-1-one

4-(3,4-difluorophenyl)-4H-phthalazin-1-one (PubChem CID 52984179) has the molecular formula C14H8F2N2O and a molecular weight of 258.23 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-4H-phthalazin-1-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-4H-phthalazin-1-one
PubChem CID52984179
Molecular FormulaC14H8F2N2O
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name4-(3,4-difluorophenyl)-4H-phthalazin-1-one
SMILESO=C1N=NC(c2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C14H8F2N2O/c15-11-6-5-8(7-12(11)16)13-9-3-1-2-4-10(9)14(19)18-17-13/h1-7,13H
InChIKeySRBSUHOLLFLDGD-UHFFFAOYSA-N
XLogP3.66
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-4H-phthalazin-1-one?
The IUPAC name of 4-(3,4-difluorophenyl)-4H-phthalazin-1-one (CID 52984179) is 4-(3,4-difluorophenyl)-4H-phthalazin-1-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-4H-phthalazin-1-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-4H-phthalazin-1-one is O=C1N=NC(c2ccc(F)c(F)c2)c2ccccc21.
What is the InChIKey of 4-(3,4-difluorophenyl)-4H-phthalazin-1-one?
The InChIKey is SRBSUHOLLFLDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O/c15-11-6-5-8(7-12(11)16)13-9-3-1-2-4-10(9)14(19)18-17-13/h1-7,13H.
What are the key properties of 4-(3,4-difluorophenyl)-4H-phthalazin-1-one?
4-(3,4-difluorophenyl)-4H-phthalazin-1-one has a molecular weight of 258.23 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-4H-phthalazin-1-one is sourced from PubChem (CID 52984179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).