4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine

C18H15F2N3O — CID 2333510

IUPAC4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine
SMILESFc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1F
InChIInChI=1S/C18H15F2N3O/c19-15-6-5-12(11-16(15)20)17-13-3-1-2-4-14(13)18(22-21-17)23-7-9-24-10-8-23/h1-6,11H,7-10H2
InChIKeyKEFSIMJHQMZRQJ-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.41
Rot. Bonds2

About 4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine

4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine (PubChem CID 2333510) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine
PubChem CID2333510
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine
SMILESFc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1F
InChIInChI=1S/C18H15F2N3O/c19-15-6-5-12(11-16(15)20)17-13-3-1-2-4-14(13)18(22-21-17)23-7-9-24-10-8-23/h1-6,11H,7-10H2
InChIKeyKEFSIMJHQMZRQJ-UHFFFAOYSA-N
XLogP3.41
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine?
The IUPAC name of 4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine (CID 2333510) is 4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine.
What is the SMILES notation for 4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine?
The canonical SMILES for 4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine is Fc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1F.
What is the InChIKey of 4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine?
The InChIKey is KEFSIMJHQMZRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c19-15-6-5-12(11-16(15)20)17-13-3-1-2-4-14(13)18(22-21-17)23-7-9-24-10-8-23/h1-6,11H,7-10H2.
What are the key properties of 4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine?
4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine has a molecular weight of 327.33 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-difluorophenyl)phthalazin-1-yl]morpholine is sourced from PubChem (CID 2333510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).