6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine

C10H6BrF3N2O — CID 59726030

IUPAC6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine
SMILESFC(F)(F)COc1nncc2cc(Br)ccc12
InChIInChI=1S/C10H6BrF3N2O/c11-7-1-2-8-6(3-7)4-15-16-9(8)17-5-10(12,13)14/h1-4H,5H2
InChIKeyVOICCWXVCJXLHF-UHFFFAOYSA-N
MW307.07 g/mol
LogP3.33
Rot. Bonds2

About 6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine

6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine (PubChem CID 59726030) has the molecular formula C10H6BrF3N2O and a molecular weight of 307.07 g/mol. Its IUPAC name is 6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine.

Molecular Properties

Compound Name6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine
PubChem CID59726030
Molecular FormulaC10H6BrF3N2O
Molecular Weight307.07 g/mol
Exact Mass305.96
IUPAC Name6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine
SMILESFC(F)(F)COc1nncc2cc(Br)ccc12
InChIInChI=1S/C10H6BrF3N2O/c11-7-1-2-8-6(3-7)4-15-16-9(8)17-5-10(12,13)14/h1-4H,5H2
InChIKeyVOICCWXVCJXLHF-UHFFFAOYSA-N
XLogP3.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.07
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine?
The IUPAC name of 6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine (CID 59726030) is 6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine.
What is the SMILES notation for 6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine?
The canonical SMILES for 6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine is FC(F)(F)COc1nncc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine?
The InChIKey is VOICCWXVCJXLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O/c11-7-1-2-8-6(3-7)4-15-16-9(8)17-5-10(12,13)14/h1-4H,5H2.
What are the key properties of 6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine?
6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine has a molecular weight of 307.07 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2,2,2-trifluoroethoxy)phthalazine is sourced from PubChem (CID 59726030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).