butyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide

C43H82BF4P — CID 22637807

IUPACbutyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide
SMILESCCCC(C)C[B-](CC(C)CCC)(CC(C)CCC)CC(C)CCC.CCCCCCCCC[PH+](CCCC)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C24H52B.C19H29F4P/c1-9-13-21(5)17-25(18-22(6)14-10-2,19-23(7)15-11-3)20-24(8)16-12-4;1-3-5-7-8-9-10-11-13-24(12-6-4-2)16-14-15(20)17(21)19(23)18(16)22/h21-24H,9-20H2,1-8H3;14H,3-13H2,1-2H3/q-1;/p+1
InChIKeyGBZDLJSWCJVHBS-UHFFFAOYSA-O
MW716.91 g/mol
LogP15.81
Rot. Bonds28

About butyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide

butyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide (PubChem CID 22637807) has the molecular formula C43H82BF4P and a molecular weight of 716.91 g/mol. Its IUPAC name is butyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide.

Molecular Properties

Compound Namebutyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide
PubChem CID22637807
Molecular FormulaC43H82BF4P
Molecular Weight716.91 g/mol
Exact Mass716.62
IUPAC Namebutyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide
SMILESCCCC(C)C[B-](CC(C)CCC)(CC(C)CCC)CC(C)CCC.CCCCCCCCC[PH+](CCCC)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C24H52B.C19H29F4P/c1-9-13-21(5)17-25(18-22(6)14-10-2,19-23(7)15-11-3)20-24(8)16-12-4;1-3-5-7-8-9-10-11-13-24(12-6-4-2)16-14-15(20)17(21)19(23)18(16)22/h21-24H,9-20H2,1-8H3;14H,3-13H2,1-2H3/q-1;/p+1
InChIKeyGBZDLJSWCJVHBS-UHFFFAOYSA-O
XLogP15.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.91
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(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
butyl-ethyl-(2,3,4,5-tetrafluorophenyl)phosphanium
CID 23123044
(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
ethyl-hexyl-[2,4,5-trifluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]phosphanium;tetrakis(1,1,2,2,3,3-hexafluorononyl)boranuide
CID 22637727
2-methylpentyl(propyl)phosphanium;1,2,3,4,5-pentafluoro-6-(2,3,4-trifluorophenyl)benzene;tetraoctylboranuide
CID 22638079
2-methylheptane;1,2,3,4,5,6,7,8-octafluoronaphthalene
CID 174662628
2,3,5,6-tetrafluoro-N-nonan-2-ylaniline
CID 107643577
1-(3,4,5-trifluorophenyl)nonan-1-amine
CID 63417456
N-(2-methylpentyl)hexan-1-amine;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
CID 87883132
4,9-dimethylpentadecane
CID 123851930
(4S)-4-methyltridecane
CID 24884428

Frequently Asked Questions

What is the IUPAC name of butyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide?
The IUPAC name of butyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide (CID 22637807) is butyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide.
What is the SMILES notation for butyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide?
The canonical SMILES for butyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide is CCCC(C)C[B-](CC(C)CCC)(CC(C)CCC)CC(C)CCC.CCCCCCCCC[PH+](CCCC)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of butyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide?
The InChIKey is GBZDLJSWCJVHBS-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H52B.C19H29F4P/c1-9-13-21(5)17-25(18-22(6)14-10-2,19-23(7)15-11-3)20-24(8)16-12-4;1-3-5-7-8-9-10-11-13-24(12-6-4-2)16-14-15(20)17(21)19(23)18(16)22/h21-24H,9-20H2,1-8H3;14H,3-13H2,1-2H3/q-1;/p+1.
What are the key properties of butyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide?
butyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide has a molecular weight of 716.91 g/mol, XLogP of 15.81, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-nonyl-(2,3,4,5-tetrafluorophenyl)phosphanium;tetrakis(2-methylpentyl)boranuide is sourced from PubChem (CID 22637807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).