triphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride

C26H21ClF3OP — CID 10766848

IUPACtriphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride
SMILESFC(F)(F)[C@@H](O[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C26H21F3OP.ClH/c27-26(28,29)25(21-13-5-1-6-14-21)30-31(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20,25H;1H/q+1;/p-1/t25-;/m0./s1
InChIKeyNEHRGKYKVCRXSB-UQIIZPHYSA-M
MW472.87 g/mol
LogP3.22
Rot. Bonds6

About triphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride

triphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride (PubChem CID 10766848) has the molecular formula C26H21ClF3OP and a molecular weight of 472.87 g/mol. Its IUPAC name is triphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride.

Molecular Properties

Compound Nametriphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride
PubChem CID10766848
Molecular FormulaC26H21ClF3OP
Molecular Weight472.87 g/mol
Exact Mass472.10
IUPAC Nametriphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride
SMILESFC(F)(F)[C@@H](O[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C26H21F3OP.ClH/c27-26(28,29)25(21-13-5-1-6-14-21)30-31(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20,25H;1H/q+1;/p-1/t25-;/m0./s1
InChIKeyNEHRGKYKVCRXSB-UQIIZPHYSA-M
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.87
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

((Benzyloxy)methyl)triphenylphosphonium chloride
CID 11452854
Benzenemethanol, alpha-(trifluoromethyl)-, phosphate (3:1)
CID 594366
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CID 16215999
1-(Diphenylphosphoryloxymethyl)-4-fluorobenzene
CID 122203740
(Z)-1-phenyl-2-triphenylphosphaniumylethenolate
CID 6314514
Diphenyl-phenylmethoxy-phosphane
CID 298154
[(1S,2S)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxy-1,2-diphenylethoxy]-bis(2,3,4,5,6-pentafluorophenyl)phosphane
CID 16687484
1,2-Bis[bis(pentafluorophenyl)phosphanyloxy]-1,2-diphenylethane
CID 73308404
(4-Fluorophenyl)methoxymethylidene-triphenyl-lambda5-phosphane
CID 90888084
(1,1-Difluoro-2-phenyl-2-trimethylsilyloxyethyl)-triphenylphosphanium
CID 135030392
1-(1-Diphenylphosphoryloxyethyl)-4-(trifluoromethyl)benzene
CID 135065034
(3S)-1,1,1,3-tetraphenyl-3-(trifluoromethyl)-2,1lambda5-benzoxaphosphole
CID 139044249

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride?
The IUPAC name of triphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride (CID 10766848) is triphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride.
What is the SMILES notation for triphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride?
The canonical SMILES for triphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride is FC(F)(F)[C@@H](O[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of triphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride?
The InChIKey is NEHRGKYKVCRXSB-UQIIZPHYSA-M. The full InChI is InChI=1S/C26H21F3OP.ClH/c27-26(28,29)25(21-13-5-1-6-14-21)30-31(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20,25H;1H/q+1;/p-1/t25-;/m0./s1.
What are the key properties of triphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride?
triphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride has a molecular weight of 472.87 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphanium chloride is sourced from PubChem (CID 10766848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).