1-(2,4-difluorophenyl)phthalazine

C14H8F2N2 — CID 175330738

IUPAC1-(2,4-difluorophenyl)phthalazine
SMILESFc1ccc(-c2nncc3ccccc23)c(F)c1
InChIInChI=1S/C14H8F2N2/c15-10-5-6-12(13(16)7-10)14-11-4-2-1-3-9(11)8-17-18-14/h1-8H
InChIKeyKFUCFPUMHDLRJS-UHFFFAOYSA-N
MW242.23 g/mol
LogP3.58
Rot. Bonds1

About 1-(2,4-difluorophenyl)phthalazine

1-(2,4-difluorophenyl)phthalazine (PubChem CID 175330738) has the molecular formula C14H8F2N2 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)phthalazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)phthalazine
PubChem CID175330738
Molecular FormulaC14H8F2N2
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name1-(2,4-difluorophenyl)phthalazine
SMILESFc1ccc(-c2nncc3ccccc23)c(F)c1
InChIInChI=1S/C14H8F2N2/c15-10-5-6-12(13(16)7-10)14-11-4-2-1-3-9(11)8-17-18-14/h1-8H
InChIKeyKFUCFPUMHDLRJS-UHFFFAOYSA-N
XLogP3.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)phthalazine?
The IUPAC name of 1-(2,4-difluorophenyl)phthalazine (CID 175330738) is 1-(2,4-difluorophenyl)phthalazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)phthalazine?
The canonical SMILES for 1-(2,4-difluorophenyl)phthalazine is Fc1ccc(-c2nncc3ccccc23)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)phthalazine?
The InChIKey is KFUCFPUMHDLRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2/c15-10-5-6-12(13(16)7-10)14-11-4-2-1-3-9(11)8-17-18-14/h1-8H.
What are the key properties of 1-(2,4-difluorophenyl)phthalazine?
1-(2,4-difluorophenyl)phthalazine has a molecular weight of 242.23 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)phthalazine is sourced from PubChem (CID 175330738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).