methyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium

C10H11F5N+ — CID 23123203

IUPACmethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium
SMILESCCC[NH+](C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5N/c1-3-4-16(2)10-8(14)6(12)5(11)7(13)9(10)15/h3-4H2,1-2H3/p+1
InChIKeyMZJMYQCFNIZBAR-UHFFFAOYSA-O
MW240.19 g/mol
LogP1.94
Rot. Bonds3

About methyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium

methyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium (PubChem CID 23123203) has the molecular formula C10H11F5N+ and a molecular weight of 240.19 g/mol. Its IUPAC name is methyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium.

Molecular Properties

Compound Namemethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium
PubChem CID23123203
Molecular FormulaC10H11F5N+
Molecular Weight240.19 g/mol
Exact Mass240.08
IUPAC Namemethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium
SMILESCCC[NH+](C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5N/c1-3-4-16(2)10-8(14)6(12)5(11)7(13)9(10)15/h3-4H2,1-2H3/p+1
InChIKeyMZJMYQCFNIZBAR-UHFFFAOYSA-O
XLogP1.94
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium?
The IUPAC name of methyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium (CID 23123203) is methyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium.
What is the SMILES notation for methyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium?
The canonical SMILES for methyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium is CCC[NH+](C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of methyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium?
The InChIKey is MZJMYQCFNIZBAR-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10F5N/c1-3-4-16(2)10-8(14)6(12)5(11)7(13)9(10)15/h3-4H2,1-2H3/p+1.
What are the key properties of methyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium?
methyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium has a molecular weight of 240.19 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium is sourced from PubChem (CID 23123203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).