1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium

C13H17F3P+ — CID 154708449

IUPAC1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium
SMILESCc1cc(C)c([P+]2(CC(F)(F)F)CC2)c(C)c1
InChIInChI=1S/C13H17F3P/c1-9-6-10(2)12(11(3)7-9)17(4-5-17)8-13(14,15)16/h6-7H,4-5,8H2,1-3H3/q+1
InChIKeyDUDMDZWOOONDTK-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.83
Rot. Bonds2

About 1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium

1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium (PubChem CID 154708449) has the molecular formula C13H17F3P+ and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium
PubChem CID154708449
Molecular FormulaC13H17F3P+
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium
SMILESCc1cc(C)c([P+]2(CC(F)(F)F)CC2)c(C)c1
InChIInChI=1S/C13H17F3P/c1-9-6-10(2)12(11(3)7-9)17(4-5-17)8-13(14,15)16/h6-7H,4-5,8H2,1-3H3/q+1
InChIKeyDUDMDZWOOONDTK-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium (CID 154708449) is 1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium is Cc1cc(C)c([P+]2(CC(F)(F)F)CC2)c(C)c1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium?
The InChIKey is DUDMDZWOOONDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3P/c1-9-6-10(2)12(11(3)7-9)17(4-5-17)8-13(14,15)16/h6-7H,4-5,8H2,1-3H3/q+1.
What are the key properties of 1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium?
1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium has a molecular weight of 261.25 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-1-(2,4,6-trimethylphenyl)phosphiran-1-ium is sourced from PubChem (CID 154708449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).