1-(2-bromo-4-fluorophenoxy)phthalazine

C14H8BrFN2O — CID 43395636

IUPAC1-(2-bromo-4-fluorophenoxy)phthalazine
SMILESFc1ccc(Oc2nncc3ccccc23)c(Br)c1
InChIInChI=1S/C14H8BrFN2O/c15-12-7-10(16)5-6-13(12)19-14-11-4-2-1-3-9(11)8-17-18-14/h1-8H
InChIKeyQTLGADVEMAHYLE-UHFFFAOYSA-N
MW319.13 g/mol
LogP4.32
Rot. Bonds2

About 1-(2-bromo-4-fluorophenoxy)phthalazine

1-(2-bromo-4-fluorophenoxy)phthalazine (PubChem CID 43395636) has the molecular formula C14H8BrFN2O and a molecular weight of 319.13 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenoxy)phthalazine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenoxy)phthalazine
PubChem CID43395636
Molecular FormulaC14H8BrFN2O
Molecular Weight319.13 g/mol
Exact Mass317.98
IUPAC Name1-(2-bromo-4-fluorophenoxy)phthalazine
SMILESFc1ccc(Oc2nncc3ccccc23)c(Br)c1
InChIInChI=1S/C14H8BrFN2O/c15-12-7-10(16)5-6-13(12)19-14-11-4-2-1-3-9(11)8-17-18-14/h1-8H
InChIKeyQTLGADVEMAHYLE-UHFFFAOYSA-N
XLogP4.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenoxy)phthalazine?
The IUPAC name of 1-(2-bromo-4-fluorophenoxy)phthalazine (CID 43395636) is 1-(2-bromo-4-fluorophenoxy)phthalazine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenoxy)phthalazine?
The canonical SMILES for 1-(2-bromo-4-fluorophenoxy)phthalazine is Fc1ccc(Oc2nncc3ccccc23)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-fluorophenoxy)phthalazine?
The InChIKey is QTLGADVEMAHYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O/c15-12-7-10(16)5-6-13(12)19-14-11-4-2-1-3-9(11)8-17-18-14/h1-8H.
What are the key properties of 1-(2-bromo-4-fluorophenoxy)phthalazine?
1-(2-bromo-4-fluorophenoxy)phthalazine has a molecular weight of 319.13 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenoxy)phthalazine is sourced from PubChem (CID 43395636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).