trifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium

C22H22F3NO2PS+ — CID 174974005

IUPACtrifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium
SMILESC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C21H20P.CH2F3NO2S/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2-1(3,4)8(5,6)7/h2-17H,1,18H2;(H2,5,6,7)/q+1;
InChIKeyOUKQNXFTQZJTBA-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.96
Rot. Bonds5

About trifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium

trifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium (PubChem CID 174974005) has the molecular formula C22H22F3NO2PS+ and a molecular weight of 452.46 g/mol. Its IUPAC name is trifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium.

Molecular Properties

Compound Nametrifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium
PubChem CID174974005
Molecular FormulaC22H22F3NO2PS+
Molecular Weight452.46 g/mol
Exact Mass452.11
IUPAC Nametrifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium
SMILESC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C21H20P.CH2F3NO2S/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2-1(3,4)8(5,6)7/h2-17H,1,18H2;(H2,5,6,7)/q+1;
InChIKeyOUKQNXFTQZJTBA-UHFFFAOYSA-N
XLogP3.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium?
The IUPAC name of trifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium (CID 174974005) is trifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium.
What is the SMILES notation for trifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium?
The canonical SMILES for trifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium is C=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of trifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium?
The InChIKey is OUKQNXFTQZJTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20P.CH2F3NO2S/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2-1(3,4)8(5,6)7/h2-17H,1,18H2;(H2,5,6,7)/q+1;.
What are the key properties of trifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium?
trifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium has a molecular weight of 452.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanesulfonamide;triphenyl(prop-2-enyl)phosphanium is sourced from PubChem (CID 174974005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).