methyl(triphenyl)phosphanium;2,2,2-trifluoroacetate

C21H18F3O2P — CID 22365540

IUPACmethyl(triphenyl)phosphanium;2,2,2-trifluoroacetate
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C([O-])C(F)(F)F
InChIInChI=1S/C19H18P.C2HF3O2/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;3-2(4,5)1(6)7/h2-16H,1H3;(H,6,7)/q+1;/p-1
InChIKeyXWEBWNWOAVXNTG-UHFFFAOYSA-M
MW390.34 g/mol
LogP2.91
Rot. Bonds3

About methyl(triphenyl)phosphanium;2,2,2-trifluoroacetate

methyl(triphenyl)phosphanium;2,2,2-trifluoroacetate (PubChem CID 22365540) has the molecular formula C21H18F3O2P and a molecular weight of 390.34 g/mol. Its IUPAC name is methyl(triphenyl)phosphanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namemethyl(triphenyl)phosphanium;2,2,2-trifluoroacetate
PubChem CID22365540
Molecular FormulaC21H18F3O2P
Molecular Weight390.34 g/mol
Exact Mass390.10
IUPAC Namemethyl(triphenyl)phosphanium;2,2,2-trifluoroacetate
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C([O-])C(F)(F)F
InChIInChI=1S/C19H18P.C2HF3O2/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;3-2(4,5)1(6)7/h2-16H,1H3;(H,6,7)/q+1;/p-1
InChIKeyXWEBWNWOAVXNTG-UHFFFAOYSA-M
XLogP2.91
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Fentin acetate
CID 16682804
Bis(acetato-O-)triphenylantimony
CID 16683106
Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester
CID 17453
Triphenylplumbyl acetate
CID 16682953
Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester
CID 70670
Ethyl 2-(triphenylphosphoranylidene)propionate
CID 79792
3-(Triphenylphosphoranyl)propanoic acid
CID 61357
(Ethoxycarbonylmethyl)triphenylphosphonium bromide
CID 73731
Triphenylcarboxymethylphosphonium chloride
CID 202025
(2-Methoxy-2-oxoethyl)triphenylphosphonium bromide
CID 494138
(2-Carboxyethyl)triphenylphosphonium bromide
CID 2733850
Ethyltriphenylphosphonium acetate
CID 94470

Frequently Asked Questions

What is the IUPAC name of methyl(triphenyl)phosphanium;2,2,2-trifluoroacetate?
The IUPAC name of methyl(triphenyl)phosphanium;2,2,2-trifluoroacetate (CID 22365540) is methyl(triphenyl)phosphanium;2,2,2-trifluoroacetate.
What is the SMILES notation for methyl(triphenyl)phosphanium;2,2,2-trifluoroacetate?
The canonical SMILES for methyl(triphenyl)phosphanium;2,2,2-trifluoroacetate is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C([O-])C(F)(F)F.
What is the InChIKey of methyl(triphenyl)phosphanium;2,2,2-trifluoroacetate?
The InChIKey is XWEBWNWOAVXNTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18P.C2HF3O2/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;3-2(4,5)1(6)7/h2-16H,1H3;(H,6,7)/q+1;/p-1.
What are the key properties of methyl(triphenyl)phosphanium;2,2,2-trifluoroacetate?
methyl(triphenyl)phosphanium;2,2,2-trifluoroacetate has a molecular weight of 390.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(triphenyl)phosphanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 22365540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).