1,4-difluorophthalazine

C8H4F2N2 — CID 12045193

IUPAC1,4-difluorophthalazine
SMILESFc1nnc(F)c2ccccc12
InChIInChI=1S/C8H4F2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H
InChIKeyUCIZVQUARONJGJ-UHFFFAOYSA-N
MW166.13 g/mol
LogP1.91
Rot. Bonds

About 1,4-difluorophthalazine

1,4-difluorophthalazine (PubChem CID 12045193) has the molecular formula C8H4F2N2 and a molecular weight of 166.13 g/mol. Its IUPAC name is 1,4-difluorophthalazine.

Molecular Properties

Compound Name1,4-difluorophthalazine
PubChem CID12045193
Molecular FormulaC8H4F2N2
Molecular Weight166.13 g/mol
Exact Mass166.03
IUPAC Name1,4-difluorophthalazine
SMILESFc1nnc(F)c2ccccc12
InChIInChI=1S/C8H4F2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H
InChIKeyUCIZVQUARONJGJ-UHFFFAOYSA-N
XLogP1.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluorophthalazine?
The IUPAC name of 1,4-difluorophthalazine (CID 12045193) is 1,4-difluorophthalazine.
What is the SMILES notation for 1,4-difluorophthalazine?
The canonical SMILES for 1,4-difluorophthalazine is Fc1nnc(F)c2ccccc12.
What is the InChIKey of 1,4-difluorophthalazine?
The InChIKey is UCIZVQUARONJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H.
What are the key properties of 1,4-difluorophthalazine?
1,4-difluorophthalazine has a molecular weight of 166.13 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorophthalazine is sourced from PubChem (CID 12045193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).