2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine

C17H8F4N2 — CID 628937

IUPAC2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine
SMILESFc1cc(C2=Nc3cccc4cccc(c34)N2)c(F)c(F)c1F
InChIInChI=1S/C17H8F4N2/c18-10-7-9(14(19)16(21)15(10)20)17-22-11-5-1-3-8-4-2-6-12(23-17)13(8)11/h1-7H,(H,22,23)
InChIKeyATAICACYBIBXCB-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.90
Rot. Bonds1

About 2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine

2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine (PubChem CID 628937) has the molecular formula C17H8F4N2 and a molecular weight of 316.26 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine.

Molecular Properties

Compound Name2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine
PubChem CID628937
Molecular FormulaC17H8F4N2
Molecular Weight316.26 g/mol
Exact Mass316.06
IUPAC Name2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine
SMILESFc1cc(C2=Nc3cccc4cccc(c34)N2)c(F)c(F)c1F
InChIInChI=1S/C17H8F4N2/c18-10-7-9(14(19)16(21)15(10)20)17-22-11-5-1-3-8-4-2-6-12(23-17)13(8)11/h1-7H,(H,22,23)
InChIKeyATAICACYBIBXCB-UHFFFAOYSA-N
XLogP4.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}, {'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 2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine?
The IUPAC name of 2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine (CID 628937) is 2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine.
What is the SMILES notation for 2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine?
The canonical SMILES for 2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine is Fc1cc(C2=Nc3cccc4cccc(c34)N2)c(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine?
The InChIKey is ATAICACYBIBXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8F4N2/c18-10-7-9(14(19)16(21)15(10)20)17-22-11-5-1-3-8-4-2-6-12(23-17)13(8)11/h1-7H,(H,22,23).
What are the key properties of 2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine?
2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine has a molecular weight of 316.26 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrafluorophenyl)-1H-perimidine is sourced from PubChem (CID 628937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).