8-fluoro-2-methyl-4-phenyl-1H-phthalazine

C15H13FN2 — CID 19957156

IUPAC8-fluoro-2-methyl-4-phenyl-1H-phthalazine
SMILESCN1Cc2c(F)cccc2C(c2ccccc2)=N1
InChIInChI=1S/C15H13FN2/c1-18-10-13-12(8-5-9-14(13)16)15(17-18)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyKOYXQBQEJDORCN-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.02
Rot. Bonds1

About 8-fluoro-2-methyl-4-phenyl-1H-phthalazine

8-fluoro-2-methyl-4-phenyl-1H-phthalazine (PubChem CID 19957156) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 8-fluoro-2-methyl-4-phenyl-1H-phthalazine.

Molecular Properties

Compound Name8-fluoro-2-methyl-4-phenyl-1H-phthalazine
PubChem CID19957156
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name8-fluoro-2-methyl-4-phenyl-1H-phthalazine
SMILESCN1Cc2c(F)cccc2C(c2ccccc2)=N1
InChIInChI=1S/C15H13FN2/c1-18-10-13-12(8-5-9-14(13)16)15(17-18)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyKOYXQBQEJDORCN-UHFFFAOYSA-N
XLogP3.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-4-phenyl-1H-phthalazine?
The IUPAC name of 8-fluoro-2-methyl-4-phenyl-1H-phthalazine (CID 19957156) is 8-fluoro-2-methyl-4-phenyl-1H-phthalazine.
What is the SMILES notation for 8-fluoro-2-methyl-4-phenyl-1H-phthalazine?
The canonical SMILES for 8-fluoro-2-methyl-4-phenyl-1H-phthalazine is CN1Cc2c(F)cccc2C(c2ccccc2)=N1.
What is the InChIKey of 8-fluoro-2-methyl-4-phenyl-1H-phthalazine?
The InChIKey is KOYXQBQEJDORCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-18-10-13-12(8-5-9-14(13)16)15(17-18)11-6-3-2-4-7-11/h2-9H,10H2,1H3.
What are the key properties of 8-fluoro-2-methyl-4-phenyl-1H-phthalazine?
8-fluoro-2-methyl-4-phenyl-1H-phthalazine has a molecular weight of 240.28 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-4-phenyl-1H-phthalazine is sourced from PubChem (CID 19957156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).