1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium

C11H8F10N+ — CID 23123182

IUPAC1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium
SMILESCCC[NH+](c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F10N/c1-2-3-22(11(20,21)10(17,18)19)9-7(15)5(13)4(12)6(14)8(9)16/h2-3H2,1H3/p+1
InChIKeyWIVODUNVGQKQLY-UHFFFAOYSA-O
MW344.17 g/mol
LogP3.46
Rot. Bonds4

About 1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium

1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium (PubChem CID 23123182) has the molecular formula C11H8F10N+ and a molecular weight of 344.17 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium
PubChem CID23123182
Molecular FormulaC11H8F10N+
Molecular Weight344.17 g/mol
Exact Mass344.05
IUPAC Name1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium
SMILESCCC[NH+](c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F10N/c1-2-3-22(11(20,21)10(17,18)19)9-7(15)5(13)4(12)6(14)8(9)16/h2-3H2,1H3/p+1
InChIKeyWIVODUNVGQKQLY-UHFFFAOYSA-O
XLogP3.46
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 53.46
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium
CID 23123171
(2,5-difluorophenyl)-(1,1,2,2,2-pentafluoroethyl)-propylazanium;tetrakis(1,1,2,2,3,3-hexafluorononyl)boranuide
CID 22638120
nonyl-(1,1,2,2,2-pentafluoroethyl)-phenylazanium;tetrakis(2,3,4,5,6,7-hexafluoronaphthalen-1-yl)alumanuide
CID 22637886
bis(dihexadecyl(methyl)azanium);dioxido-(2,3,4,5,6-pentafluorophenyl)borane
CID 141074915
butyl-methyl-(2,3,4,6-tetrafluoro-5-methylphenyl)azanium;tetrapentylboranuide
CID 22637978
ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87610045
dipropyl-[2,4,5-trifluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]azanium;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide
CID 22637524
1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene;N-(trifluoromethyl)ethanamine
CID 161420682
ethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-(2,3,4,5,6-pentafluorophenyl)phosphane
CID 22637443
(2,3,4,5,6-pentafluorophenyl) 2,2-difluoropentanoate
CID 123361623
butane;(2,3,4,5,6-pentafluorophenyl)methanamine
CID 175415233
1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde
CID 144618300

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium?
The IUPAC name of 1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium (CID 23123182) is 1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium?
The canonical SMILES for 1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium is CCC[NH+](c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium?
The InChIKey is WIVODUNVGQKQLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H7F10N/c1-2-3-22(11(20,21)10(17,18)19)9-7(15)5(13)4(12)6(14)8(9)16/h2-3H2,1H3/p+1.
What are the key properties of 1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium?
1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium has a molecular weight of 344.17 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethyl-(2,3,4,5,6-pentafluorophenyl)-propylazanium is sourced from PubChem (CID 23123182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).