2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium

C28H27F3P2+2 — CID 20802278

IUPAC2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium
SMILESC[P+](CC[P+](c1ccccc1)(c1ccccc1)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27F3P2/c1-32(24-14-6-2-7-15-24,25-16-8-3-9-17-25)22-23-33(28(29,30)31,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22-23H2,1H3/q+2
InChIKeyYZNASFYHCHPOTN-UHFFFAOYSA-N
MW482.47 g/mol
LogP6.47
Rot. Bonds7

About 2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium

2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium (PubChem CID 20802278) has the molecular formula C28H27F3P2+2 and a molecular weight of 482.47 g/mol. Its IUPAC name is 2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium.

Molecular Properties

Compound Name2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium
PubChem CID20802278
Molecular FormulaC28H27F3P2+2
Molecular Weight482.47 g/mol
Exact Mass482.15
IUPAC Name2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium
SMILESC[P+](CC[P+](c1ccccc1)(c1ccccc1)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27F3P2/c1-32(24-14-6-2-7-15-24,25-16-8-3-9-17-25)22-23-33(28(29,30)31,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22-23H2,1H3/q+2
InChIKeyYZNASFYHCHPOTN-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.47
LogP ≤ 56.47
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

Methyltriphenyliphosphonium bromide
CID 74505
Tetraphenylphosphonium
CID 164912
Butyltriphenylphosphonium bromide
CID 159628
Phosphonium, ethyltriphenyl-, bromide (1:1)
CID 73727
Tetraphenylphosphonium Bromide
CID 2724163
1,2-Bis(diphenylphosphino)ethane
CID 74267
Allyltriphenylphosphonium bromide
CID 197740
Ethyltriphenylphosphonium iodide
CID 78474
Tetraphenylphosphonium Chloride
CID 164911
1,4-Bis(diphenylphosphino)butane
CID 82124
Triphenylmethylphosphonium Bromide
CID 621706
Propyltriphenylphosphonium bromide
CID 80374

Frequently Asked Questions

What is the IUPAC name of 2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium?
The IUPAC name of 2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium (CID 20802278) is 2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium.
What is the SMILES notation for 2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium?
The canonical SMILES for 2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium is C[P+](CC[P+](c1ccccc1)(c1ccccc1)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium?
The InChIKey is YZNASFYHCHPOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3P2/c1-32(24-14-6-2-7-15-24,25-16-8-3-9-17-25)22-23-33(28(29,30)31,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,22-23H2,1H3/q+2.
What are the key properties of 2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium?
2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium has a molecular weight of 482.47 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diphenyl(trifluoromethyl)phosphaniumyl]ethyl-methyl-diphenylphosphanium is sourced from PubChem (CID 20802278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).