1-bromo-7-(trifluoromethyl)phthalazine

C9H4BrF3N2 — CID 88547555

IUPAC1-bromo-7-(trifluoromethyl)phthalazine
SMILESFC(F)(F)c1ccc2cnnc(Br)c2c1
InChIInChI=1S/C9H4BrF3N2/c10-8-7-3-6(9(11,12)13)2-1-5(7)4-14-15-8/h1-4H
InChIKeyHXCZLKZXHLRPGI-UHFFFAOYSA-N
MW277.04 g/mol
LogP3.41
Rot. Bonds

About 1-bromo-7-(trifluoromethyl)phthalazine

1-bromo-7-(trifluoromethyl)phthalazine (PubChem CID 88547555) has the molecular formula C9H4BrF3N2 and a molecular weight of 277.04 g/mol. Its IUPAC name is 1-bromo-7-(trifluoromethyl)phthalazine.

Molecular Properties

Compound Name1-bromo-7-(trifluoromethyl)phthalazine
PubChem CID88547555
Molecular FormulaC9H4BrF3N2
Molecular Weight277.04 g/mol
Exact Mass275.95
IUPAC Name1-bromo-7-(trifluoromethyl)phthalazine
SMILESFC(F)(F)c1ccc2cnnc(Br)c2c1
InChIInChI=1S/C9H4BrF3N2/c10-8-7-3-6(9(11,12)13)2-1-5(7)4-14-15-8/h1-4H
InChIKeyHXCZLKZXHLRPGI-UHFFFAOYSA-N
XLogP3.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.04
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-bromo-7-(trifluoromethyl)phthalazine 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 1-bromo-7-(trifluoromethyl)phthalazine?
The IUPAC name of 1-bromo-7-(trifluoromethyl)phthalazine (CID 88547555) is 1-bromo-7-(trifluoromethyl)phthalazine.
What is the SMILES notation for 1-bromo-7-(trifluoromethyl)phthalazine?
The canonical SMILES for 1-bromo-7-(trifluoromethyl)phthalazine is FC(F)(F)c1ccc2cnnc(Br)c2c1.
What is the InChIKey of 1-bromo-7-(trifluoromethyl)phthalazine?
The InChIKey is HXCZLKZXHLRPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3N2/c10-8-7-3-6(9(11,12)13)2-1-5(7)4-14-15-8/h1-4H.
What are the key properties of 1-bromo-7-(trifluoromethyl)phthalazine?
1-bromo-7-(trifluoromethyl)phthalazine has a molecular weight of 277.04 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-(trifluoromethyl)phthalazine is sourced from PubChem (CID 88547555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).