tris(2,3,4,5,6-pentafluorophenyl)arsane

C18AsF15 — CID 617953

IUPACtris(2,3,4,5,6-pentafluorophenyl)arsane
SMILESFc1c(F)c(F)c([As](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18AsF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25
InChIKeyQZBJYTDDWVXFDF-UHFFFAOYSA-N
MW576.09 g/mol
LogP4.29
Rot. Bonds3

About tris(2,3,4,5,6-pentafluorophenyl)arsane

tris(2,3,4,5,6-pentafluorophenyl)arsane (PubChem CID 617953) has the molecular formula C18AsF15 and a molecular weight of 576.09 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentafluorophenyl)arsane.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentafluorophenyl)arsane
PubChem CID617953
Molecular FormulaC18AsF15
Molecular Weight576.09 g/mol
Exact Mass575.90
IUPAC Nametris(2,3,4,5,6-pentafluorophenyl)arsane
SMILESFc1c(F)c(F)c([As](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18AsF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25
InChIKeyQZBJYTDDWVXFDF-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.09
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)arsane?
The IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)arsane (CID 617953) is tris(2,3,4,5,6-pentafluorophenyl)arsane.
What is the SMILES notation for tris(2,3,4,5,6-pentafluorophenyl)arsane?
The canonical SMILES for tris(2,3,4,5,6-pentafluorophenyl)arsane is Fc1c(F)c(F)c([As](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of tris(2,3,4,5,6-pentafluorophenyl)arsane?
The InChIKey is QZBJYTDDWVXFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18AsF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25.
What are the key properties of tris(2,3,4,5,6-pentafluorophenyl)arsane?
tris(2,3,4,5,6-pentafluorophenyl)arsane has a molecular weight of 576.09 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5,6-pentafluorophenyl)arsane is sourced from PubChem (CID 617953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).