7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine

C11H8BrFN2O — CID 175940370

IUPAC7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine
SMILESFC1(Oc2nncc3ccc(Br)cc23)CC1
InChIInChI=1S/C11H8BrFN2O/c12-8-2-1-7-6-14-15-10(9(7)5-8)16-11(13)3-4-11/h1-2,5-6H,3-4H2
InChIKeyWLAOUMNKJNYQQG-UHFFFAOYSA-N
MW283.10 g/mol
LogP3.23
Rot. Bonds2

About 7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine

7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine (PubChem CID 175940370) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine.

Molecular Properties

Compound Name7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine
PubChem CID175940370
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine
SMILESFC1(Oc2nncc3ccc(Br)cc23)CC1
InChIInChI=1S/C11H8BrFN2O/c12-8-2-1-7-6-14-15-10(9(7)5-8)16-11(13)3-4-11/h1-2,5-6H,3-4H2
InChIKeyWLAOUMNKJNYQQG-UHFFFAOYSA-N
XLogP3.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine?
The IUPAC name of 7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine (CID 175940370) is 7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine.
What is the SMILES notation for 7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine?
The canonical SMILES for 7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine is FC1(Oc2nncc3ccc(Br)cc23)CC1.
What is the InChIKey of 7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine?
The InChIKey is WLAOUMNKJNYQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c12-8-2-1-7-6-14-15-10(9(7)5-8)16-11(13)3-4-11/h1-2,5-6H,3-4H2.
What are the key properties of 7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine?
7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine has a molecular weight of 283.10 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(1-fluorocyclopropyl)oxyphthalazine is sourced from PubChem (CID 175940370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).