(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide

C58H109AlF7P — CID 22637937

IUPAC(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide
SMILESCCCC(C)C[PH+](c1cc(F)ccc1F)C(F)(F)C(F)(F)F.CCCC(CC)CCC(C)C[Al-](CC(C)CCC(CC)CCC)(CC(C)CCC(CC)CCC)CC(C)CCC(CC)CCC
InChIInChI=1S/C14H16F7P.4C11H23.Al/c1-3-4-9(2)8-22(14(20,21)13(17,18)19)12-7-10(15)5-6-11(12)16;4*1-5-7-11(6-2)9-8-10(3)4;/h5-7,9H,3-4,8H2,1-2H3;4*10-11H,3,5-9H2,1-2,4H3;/q;;;;;-1/p+1
InChIKeyKIWYPDJQXHATLX-UHFFFAOYSA-O
MW997.45 g/mol
LogP21.80
Rot. Bonds38

About (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide

(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide (PubChem CID 22637937) has the molecular formula C58H109AlF7P and a molecular weight of 997.45 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide
PubChem CID22637937
Molecular FormulaC58H109AlF7P
Molecular Weight997.45 g/mol
Exact Mass996.80
IUPAC Name(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide
SMILESCCCC(C)C[PH+](c1cc(F)ccc1F)C(F)(F)C(F)(F)F.CCCC(CC)CCC(C)C[Al-](CC(C)CCC(CC)CCC)(CC(C)CCC(CC)CCC)CC(C)CCC(CC)CCC
InChIInChI=1S/C14H16F7P.4C11H23.Al/c1-3-4-9(2)8-22(14(20,21)13(17,18)19)12-7-10(15)5-6-11(12)16;4*1-5-7-11(6-2)9-8-10(3)4;/h5-7,9H,3-4,8H2,1-2H3;4*10-11H,3,5-9H2,1-2,4H3;/q;;;;;-1/p+1
InChIKeyKIWYPDJQXHATLX-UHFFFAOYSA-O
XLogP21.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds38
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.45
LogP ≤ 521.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium
CID 23123698
(2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium
CID 23123032
(2,5-difluorophenyl)-(3-ethylheptyl)-propylphosphanium;tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637796
(2,4-difluorophenyl)-hexyl-nonylazanium;tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637379
(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
(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
(2,5-difluorophenyl)-(fluoromethyl)-(1,1,2,2,3,3-hexafluorononyl)azanium;tetrakis(2-methylpentyl)alumanuide
CID 18388725
N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline
CID 22638194
6-ethyl-3-methylnonane;methane
CID 142358245
butyl-(5-ethyl-2-methyloctyl)-phenylazanium
CID 23123538
(2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane
CID 22638408
N-(2-ethylpentyl)-4-fluoroaniline
CID 102338338

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide?
The IUPAC name of (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide (CID 22637937) is (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide.
What is the SMILES notation for (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide?
The canonical SMILES for (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide is CCCC(C)C[PH+](c1cc(F)ccc1F)C(F)(F)C(F)(F)F.CCCC(CC)CCC(C)C[Al-](CC(C)CCC(CC)CCC)(CC(C)CCC(CC)CCC)CC(C)CCC(CC)CCC.
What is the InChIKey of (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide?
The InChIKey is KIWYPDJQXHATLX-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H16F7P.4C11H23.Al/c1-3-4-9(2)8-22(14(20,21)13(17,18)19)12-7-10(15)5-6-11(12)16;4*1-5-7-11(6-2)9-8-10(3)4;/h5-7,9H,3-4,8H2,1-2H3;4*10-11H,3,5-9H2,1-2,4H3;/q;;;;;-1/p+1.
What are the key properties of (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide?
(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide has a molecular weight of 997.45 g/mol, XLogP of 21.80, 38 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide is sourced from PubChem (CID 22637937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).