methyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide

C21H20BrF3NOP — CID 90374931

IUPACmethyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.NC(=O)C(F)(F)F.[Br-]
InChIInChI=1S/C19H18P.C2H2F3NO.BrH/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;(H2,6,7);1H/q+1;;/p-1
InChIKeyBQPVHVPHEAOBEV-UHFFFAOYSA-M
MW470.27 g/mol
LogP0.65
Rot. Bonds3

About methyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide

methyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide (PubChem CID 90374931) has the molecular formula C21H20BrF3NOP and a molecular weight of 470.27 g/mol. Its IUPAC name is methyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide.

Molecular Properties

Compound Namemethyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide
PubChem CID90374931
Molecular FormulaC21H20BrF3NOP
Molecular Weight470.27 g/mol
Exact Mass469.04
IUPAC Namemethyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.NC(=O)C(F)(F)F.[Br-]
InChIInChI=1S/C19H18P.C2H2F3NO.BrH/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;(H2,6,7);1H/q+1;;/p-1
InChIKeyBQPVHVPHEAOBEV-UHFFFAOYSA-M
XLogP0.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide?
The IUPAC name of methyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide (CID 90374931) is methyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide.
What is the SMILES notation for methyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide?
The canonical SMILES for methyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.NC(=O)C(F)(F)F.[Br-].
What is the InChIKey of methyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide?
The InChIKey is BQPVHVPHEAOBEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18P.C2H2F3NO.BrH/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;(H2,6,7);1H/q+1;;/p-1.
What are the key properties of methyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide?
methyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide has a molecular weight of 470.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(triphenyl)phosphanium;2,2,2-trifluoroacetamide;bromide is sourced from PubChem (CID 90374931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).