(2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium

C18H24F5N3OP+ — CID 10076714

IUPAC(2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium
SMILESFc1c(F)c(F)c(O[P+](N2CCCC2)(N2CCCC2)N2CCCC2)c(F)c1F
InChIInChI=1S/C18H24F5N3OP/c19-13-14(20)16(22)18(17(23)15(13)21)27-28(24-7-1-2-8-24,25-9-3-4-10-25)26-11-5-6-12-26/h1-12H2/q+1
InChIKeyCJIJVIZVISEEAO-UHFFFAOYSA-N
MW424.37 g/mol
LogP4.73
Rot. Bonds5

About (2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium

(2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium (PubChem CID 10076714) has the molecular formula C18H24F5N3OP+ and a molecular weight of 424.37 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium
PubChem CID10076714
Molecular FormulaC18H24F5N3OP+
Molecular Weight424.37 g/mol
Exact Mass424.16
IUPAC Name(2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium
SMILESFc1c(F)c(F)c(O[P+](N2CCCC2)(N2CCCC2)N2CCCC2)c(F)c1F
InChIInChI=1S/C18H24F5N3OP/c19-13-14(20)16(22)18(17(23)15(13)21)27-28(24-7-1-2-8-24,25-9-3-4-10-25)26-11-5-6-12-26/h1-12H2/q+1
InChIKeyCJIJVIZVISEEAO-UHFFFAOYSA-N
XLogP4.73
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium?
The IUPAC name of (2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium (CID 10076714) is (2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium?
The canonical SMILES for (2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium is Fc1c(F)c(F)c(O[P+](N2CCCC2)(N2CCCC2)N2CCCC2)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium?
The InChIKey is CJIJVIZVISEEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F5N3OP/c19-13-14(20)16(22)18(17(23)15(13)21)27-28(24-7-1-2-8-24,25-9-3-4-10-25)26-11-5-6-12-26/h1-12H2/q+1.
What are the key properties of (2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium?
(2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium has a molecular weight of 424.37 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium is sourced from PubChem (CID 10076714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).