7-bromo-1-(difluoromethoxy)phthalazine

C9H5BrF2N2O — CID 175905089

IUPAC7-bromo-1-(difluoromethoxy)phthalazine
SMILESFC(F)Oc1nncc2ccc(Br)cc12
InChIInChI=1S/C9H5BrF2N2O/c10-6-2-1-5-4-13-14-8(7(5)3-6)15-9(11)12/h1-4,9H
InChIKeyWMDOFKRCXZIQMT-UHFFFAOYSA-N
MW275.05 g/mol
LogP2.99
Rot. Bonds2

About 7-bromo-1-(difluoromethoxy)phthalazine

7-bromo-1-(difluoromethoxy)phthalazine (PubChem CID 175905089) has the molecular formula C9H5BrF2N2O and a molecular weight of 275.05 g/mol. Its IUPAC name is 7-bromo-1-(difluoromethoxy)phthalazine.

Molecular Properties

Compound Name7-bromo-1-(difluoromethoxy)phthalazine
PubChem CID175905089
Molecular FormulaC9H5BrF2N2O
Molecular Weight275.05 g/mol
Exact Mass273.96
IUPAC Name7-bromo-1-(difluoromethoxy)phthalazine
SMILESFC(F)Oc1nncc2ccc(Br)cc12
InChIInChI=1S/C9H5BrF2N2O/c10-6-2-1-5-4-13-14-8(7(5)3-6)15-9(11)12/h1-4,9H
InChIKeyWMDOFKRCXZIQMT-UHFFFAOYSA-N
XLogP2.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(difluoromethoxy)phthalazine?
The IUPAC name of 7-bromo-1-(difluoromethoxy)phthalazine (CID 175905089) is 7-bromo-1-(difluoromethoxy)phthalazine.
What is the SMILES notation for 7-bromo-1-(difluoromethoxy)phthalazine?
The canonical SMILES for 7-bromo-1-(difluoromethoxy)phthalazine is FC(F)Oc1nncc2ccc(Br)cc12.
What is the InChIKey of 7-bromo-1-(difluoromethoxy)phthalazine?
The InChIKey is WMDOFKRCXZIQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2N2O/c10-6-2-1-5-4-13-14-8(7(5)3-6)15-9(11)12/h1-4,9H.
What are the key properties of 7-bromo-1-(difluoromethoxy)phthalazine?
7-bromo-1-(difluoromethoxy)phthalazine has a molecular weight of 275.05 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(difluoromethoxy)phthalazine is sourced from PubChem (CID 175905089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).