(2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium

C19H32F2P+ — CID 23123032

IUPAC(2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium
SMILESCCCC(CC)CCC(C)C[PH+](CC)c1ccc(F)cc1F
InChIInChI=1S/C19H31F2P/c1-5-8-16(6-2)10-9-15(4)14-22(7-3)19-12-11-17(20)13-18(19)21/h11-13,15-16H,5-10,14H2,1-4H3/p+1
InChIKeyRQJOHAGZVIAUKT-UHFFFAOYSA-O
MW329.44 g/mol
LogP6.07
Rot. Bonds10

About (2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium

(2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium (PubChem CID 23123032) has the molecular formula C19H32F2P+ and a molecular weight of 329.44 g/mol. Its IUPAC name is (2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium.

Molecular Properties

Compound Name(2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium
PubChem CID23123032
Molecular FormulaC19H32F2P+
Molecular Weight329.44 g/mol
Exact Mass329.22
IUPAC Name(2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium
SMILESCCCC(CC)CCC(C)C[PH+](CC)c1ccc(F)cc1F
InChIInChI=1S/C19H31F2P/c1-5-8-16(6-2)10-9-15(4)14-22(7-3)19-12-11-17(20)13-18(19)21/h11-13,15-16H,5-10,14H2,1-4H3/p+1
InChIKeyRQJOHAGZVIAUKT-UHFFFAOYSA-O
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium;tetrakis(5-ethyl-2-methyloctyl)alumanuide
CID 22637937
(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
1-(1-chloro-2-methylpentyl)-2,4-difluorobenzene
CID 63433611
(2,5-difluorophenyl)-(2-methylpentyl)-(1,1,2,2,2-pentafluoroethyl)phosphanium
CID 23123698
(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
6-ethyl-3-methylnonane;methane
CID 142358245
N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine
CID 43103346
2-[(2,4-difluorophenyl)methyl]pentan-1-amine
CID 62505725
N-(2-ethylpentyl)-4-fluoroaniline
CID 102338338
[(2R,5R)-5-ethyl-2-methyloctyl]benzene
CID 3085733
N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline
CID 22638279

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium?
The IUPAC name of (2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium (CID 23123032) is (2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium.
What is the SMILES notation for (2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium?
The canonical SMILES for (2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium is CCCC(CC)CCC(C)C[PH+](CC)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium?
The InChIKey is RQJOHAGZVIAUKT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H31F2P/c1-5-8-16(6-2)10-9-15(4)14-22(7-3)19-12-11-17(20)13-18(19)21/h11-13,15-16H,5-10,14H2,1-4H3/p+1.
What are the key properties of (2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium?
(2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium has a molecular weight of 329.44 g/mol, XLogP of 6.07, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-ethyl-(5-ethyl-2-methyloctyl)phosphanium is sourced from PubChem (CID 23123032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).