(5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide

C50H83AlF11P — CID 22637792

IUPAC(5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide
SMILESCCCC(C)C[Al-](CC(C)CCC)(CC(C)CCC)CC(C)CCC.CCCC(CC)CCC(C)C[PH2+]C.Cc1c(F)c(F)c(F)c(C(F)(F)F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H3F11.C12H27P.4C6H13.Al/c1-2-3(4-7(16)11(20)13(22)12(21)8(4)17)5(14(23,24)25)9(18)10(19)6(2)15;1-5-7-12(6-2)9-8-11(3)10-13-4;4*1-4-5-6(2)3;/h1H3;11-13H,5-10H2,1-4H3;4*6H,2,4-5H2,1,3H3;/q;;;;;;-1/p+1
InChIKeyNGUHFXBKVIYDNG-UHFFFAOYSA-O
MW951.15 g/mol
LogP19.24
Rot. Bonds25

About (5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide

(5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide (PubChem CID 22637792) has the molecular formula C50H83AlF11P and a molecular weight of 951.15 g/mol. Its IUPAC name is (5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide.

Molecular Properties

Compound Name(5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide
PubChem CID22637792
Molecular FormulaC50H83AlF11P
Molecular Weight951.15 g/mol
Exact Mass950.59
IUPAC Name(5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide
SMILESCCCC(C)C[Al-](CC(C)CCC)(CC(C)CCC)CC(C)CCC.CCCC(CC)CCC(C)C[PH2+]C.Cc1c(F)c(F)c(F)c(C(F)(F)F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H3F11.C12H27P.4C6H13.Al/c1-2-3(4-7(16)11(20)13(22)12(21)8(4)17)5(14(23,24)25)9(18)10(19)6(2)15;1-5-7-12(6-2)9-8-11(3)10-13-4;4*1-4-5-6(2)3;/h1H3;11-13H,5-10H2,1-4H3;4*6H,2,4-5H2,1,3H3;/q;;;;;;-1/p+1
InChIKeyNGUHFXBKVIYDNG-UHFFFAOYSA-O
XLogP19.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.15
LogP ≤ 519.24
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(1,1,2,2,3,3-hexafluorononyl)alumanuide
CID 22638085
2-methylpentyl(propyl)phosphanium;1,2,3,4,5-pentafluoro-6-(2,3,4-trifluorophenyl)benzene;tetrakis(2-methylpentyl)alumanuide
CID 22638316
N-(5-ethyl-2-methyloctyl)-2,3,4,5,6-pentafluoro-N-(fluoromethyl)aniline
CID 22638067
(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide
CID 22637937
2-methyl-N-(trifluoromethyl)pentan-1-amine;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
CID 160516447
N-ethyl-1,1,2,2,3,3-hexafluorononan-1-amine;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene
CID 87882921
6-ethyl-3-methylnonane;methane
CID 142358245
3-ethylheptyl-(5-ethyl-2-methyloctyl)-[2,4,5-trifluoro-3-(trifluoromethyl)phenyl]azanium;tetrakis(1,2,3,4,5,6,7-heptafluoro-9H-fluoren-9-yl)alumanuide
CID 22638269
tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637381
N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline
CID 22638279
bis(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2-methylpentyl)alumanuide
CID 22637971
(5-ethyl-2-methyloctyl)-hexyl-[2,4,5-trifluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]phosphanium;tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637794

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide?
The IUPAC name of (5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide (CID 22637792) is (5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide.
What is the SMILES notation for (5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide?
The canonical SMILES for (5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide is CCCC(C)C[Al-](CC(C)CCC)(CC(C)CCC)CC(C)CCC.CCCC(CC)CCC(C)C[PH2+]C.Cc1c(F)c(F)c(F)c(C(F)(F)F)c1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide?
The InChIKey is NGUHFXBKVIYDNG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H3F11.C12H27P.4C6H13.Al/c1-2-3(4-7(16)11(20)13(22)12(21)8(4)17)5(14(23,24)25)9(18)10(19)6(2)15;1-5-7-12(6-2)9-8-11(3)10-13-4;4*1-4-5-6(2)3;/h1H3;11-13H,5-10H2,1-4H3;4*6H,2,4-5H2,1,3H3;/q;;;;;;-1/p+1.
What are the key properties of (5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide?
(5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide has a molecular weight of 951.15 g/mol, XLogP of 19.24, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methyloctyl)-methylphosphanium;1,2,3,4,5-pentafluoro-6-[3,4,5-trifluoro-2-methyl-6-(trifluoromethyl)phenyl]benzene;tetrakis(2-methylpentyl)alumanuide is sourced from PubChem (CID 22637792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).