[methyl(triphenyl)-λ5-phosphanyl] 2,2,2-trifluoroacetate

C21H18F3O2P — CID 135046020

IUPAC[methyl(triphenyl)-λ5-phosphanyl] 2,2,2-trifluoroacetate
SMILESCP(OC(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18F3O2P/c1-27(17-11-5-2-6-12-17,18-13-7-3-8-14-18,19-15-9-4-10-16-19)26-20(25)21(22,23)24/h2-16H,1H3
InChIKeyMUUTVOABEZELOQ-UHFFFAOYSA-N
MW390.34 g/mol
LogP4.17
Rot. Bonds4

About [methyl(triphenyl)-λ5-phosphanyl] 2,2,2-trifluoroacetate

[methyl(triphenyl)-λ5-phosphanyl] 2,2,2-trifluoroacetate (PubChem CID 135046020) has the molecular formula C21H18F3O2P and a molecular weight of 390.34 g/mol. Its IUPAC name is [methyl(triphenyl)-λ5-phosphanyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[methyl(triphenyl)-λ5-phosphanyl] 2,2,2-trifluoroacetate
PubChem CID135046020
Molecular FormulaC21H18F3O2P
Molecular Weight390.34 g/mol
Exact Mass390.10
IUPAC Name[methyl(triphenyl)-λ5-phosphanyl] 2,2,2-trifluoroacetate
SMILESCP(OC(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18F3O2P/c1-27(17-11-5-2-6-12-17,18-13-7-3-8-14-18,19-15-9-4-10-16-19)26-20(25)21(22,23)24/h2-16H,1H3
InChIKeyMUUTVOABEZELOQ-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-λ5-phosphanyl] 2,2,2-trifluoroacetate?
The IUPAC name of [methyl(triphenyl)-λ5-phosphanyl] 2,2,2-trifluoroacetate (CID 135046020) is [methyl(triphenyl)-λ5-phosphanyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [methyl(triphenyl)-λ5-phosphanyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [methyl(triphenyl)-λ5-phosphanyl] 2,2,2-trifluoroacetate is CP(OC(=O)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [methyl(triphenyl)-λ5-phosphanyl] 2,2,2-trifluoroacetate?
The InChIKey is MUUTVOABEZELOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3O2P/c1-27(17-11-5-2-6-12-17,18-13-7-3-8-14-18,19-15-9-4-10-16-19)26-20(25)21(22,23)24/h2-16H,1H3.
What are the key properties of [methyl(triphenyl)-λ5-phosphanyl] 2,2,2-trifluoroacetate?
[methyl(triphenyl)-λ5-phosphanyl] 2,2,2-trifluoroacetate has a molecular weight of 390.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(triphenyl)-λ5-phosphanyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 135046020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).