triphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium

C32H38F3N3O4P+ — CID 174155062

IUPACtriphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium
SMILESO=C(NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)NOC(=O)C(F)(F)F
InChIInChI=1S/C32H37F3N3O4P/c33-32(34,35)29(39)42-38-31(41)37-30(40)36-24-16-5-3-1-2-4-6-17-25-43(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-15,18-23H,1-6,16-17,24-25H2,(H2-,36,37,38,40,41)/p+1
InChIKeyKUFWWDURYPSZAP-UHFFFAOYSA-O
MW616.64 g/mol
LogP6.13
Rot. Bonds14

About triphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium

triphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium (PubChem CID 174155062) has the molecular formula C32H38F3N3O4P+ and a molecular weight of 616.64 g/mol. Its IUPAC name is triphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium
PubChem CID174155062
Molecular FormulaC32H38F3N3O4P+
Molecular Weight616.64 g/mol
Exact Mass616.25
IUPAC Nametriphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium
SMILESO=C(NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)NOC(=O)C(F)(F)F
InChIInChI=1S/C32H37F3N3O4P/c33-32(34,35)29(39)42-38-31(41)37-30(40)36-24-16-5-3-1-2-4-6-17-25-43(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-15,18-23H,1-6,16-17,24-25H2,(H2-,36,37,38,40,41)/p+1
InChIKeyKUFWWDURYPSZAP-UHFFFAOYSA-O
XLogP6.13
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.64
LogP ≤ 56.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium?
The IUPAC name of triphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium (CID 174155062) is triphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium.
What is the SMILES notation for triphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium?
The canonical SMILES for triphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium is O=C(NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)NOC(=O)C(F)(F)F.
What is the InChIKey of triphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium?
The InChIKey is KUFWWDURYPSZAP-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H37F3N3O4P/c33-32(34,35)29(39)42-38-31(41)37-30(40)36-24-16-5-3-1-2-4-6-17-25-43(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-15,18-23H,1-6,16-17,24-25H2,(H2-,36,37,38,40,41)/p+1.
What are the key properties of triphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium?
triphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium has a molecular weight of 616.64 g/mol, XLogP of 6.13, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium is sourced from PubChem (CID 174155062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).