1-(difluoromethylsulfanyl)-4-phenylphthalazine

C15H10F2N2S — CID 6401158

IUPAC1-(difluoromethylsulfanyl)-4-phenylphthalazine
SMILESFC(F)Sc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C15H10F2N2S/c16-15(17)20-14-12-9-5-4-8-11(12)13(18-19-14)10-6-2-1-3-7-10/h1-9,15H
InChIKeyBCXJILYKXGOVSN-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.61
Rot. Bonds3

About 1-(difluoromethylsulfanyl)-4-phenylphthalazine

1-(difluoromethylsulfanyl)-4-phenylphthalazine (PubChem CID 6401158) has the molecular formula C15H10F2N2S and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(difluoromethylsulfanyl)-4-phenylphthalazine.

Molecular Properties

Compound Name1-(difluoromethylsulfanyl)-4-phenylphthalazine
PubChem CID6401158
Molecular FormulaC15H10F2N2S
Molecular Weight288.32 g/mol
Exact Mass288.05
IUPAC Name1-(difluoromethylsulfanyl)-4-phenylphthalazine
SMILESFC(F)Sc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C15H10F2N2S/c16-15(17)20-14-12-9-5-4-8-11(12)13(18-19-14)10-6-2-1-3-7-10/h1-9,15H
InChIKeyBCXJILYKXGOVSN-UHFFFAOYSA-N
XLogP4.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfanyl)-4-phenylphthalazine?
The IUPAC name of 1-(difluoromethylsulfanyl)-4-phenylphthalazine (CID 6401158) is 1-(difluoromethylsulfanyl)-4-phenylphthalazine.
What is the SMILES notation for 1-(difluoromethylsulfanyl)-4-phenylphthalazine?
The canonical SMILES for 1-(difluoromethylsulfanyl)-4-phenylphthalazine is FC(F)Sc1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(difluoromethylsulfanyl)-4-phenylphthalazine?
The InChIKey is BCXJILYKXGOVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2S/c16-15(17)20-14-12-9-5-4-8-11(12)13(18-19-14)10-6-2-1-3-7-10/h1-9,15H.
What are the key properties of 1-(difluoromethylsulfanyl)-4-phenylphthalazine?
1-(difluoromethylsulfanyl)-4-phenylphthalazine has a molecular weight of 288.32 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfanyl)-4-phenylphthalazine is sourced from PubChem (CID 6401158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).