5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine

C12H4F4N2S — CID 166067246

IUPAC5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine
SMILESFc1c(F)c(F)c2c(-c3cccs3)nncc2c1F
InChIInChI=1S/C12H4F4N2S/c13-8-5-4-17-18-12(6-2-1-3-19-6)7(5)9(14)11(16)10(8)15/h1-4H
InChIKeyUHSOXUGFQVUXPS-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.91
Rot. Bonds1

About 5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine

5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine (PubChem CID 166067246) has the molecular formula C12H4F4N2S and a molecular weight of 284.24 g/mol. Its IUPAC name is 5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine.

Molecular Properties

Compound Name5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine
PubChem CID166067246
Molecular FormulaC12H4F4N2S
Molecular Weight284.24 g/mol
Exact Mass284.00
IUPAC Name5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine
SMILESFc1c(F)c(F)c2c(-c3cccs3)nncc2c1F
InChIInChI=1S/C12H4F4N2S/c13-8-5-4-17-18-12(6-2-1-3-19-6)7(5)9(14)11(16)10(8)15/h1-4H
InChIKeyUHSOXUGFQVUXPS-UHFFFAOYSA-N
XLogP3.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine?
The IUPAC name of 5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine (CID 166067246) is 5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine.
What is the SMILES notation for 5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine?
The canonical SMILES for 5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine is Fc1c(F)c(F)c2c(-c3cccs3)nncc2c1F.
What is the InChIKey of 5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine?
The InChIKey is UHSOXUGFQVUXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F4N2S/c13-8-5-4-17-18-12(6-2-1-3-19-6)7(5)9(14)11(16)10(8)15/h1-4H.
What are the key properties of 5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine?
5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine has a molecular weight of 284.24 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrafluoro-1-thiophen-2-ylphthalazine is sourced from PubChem (CID 166067246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).