trichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium

C32H57Cl3F3P2+ — CID 174441406

IUPACtrichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium
SMILESCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)Cc1cccc(C(F)(F)F)c1.ClP(Cl)Cl
InChIInChI=1S/C32H57F3P.Cl3P/c1-4-7-10-13-16-19-25-36(26-20-17-14-11-8-5-2,27-21-18-15-12-9-6-3)29-30-23-22-24-31(28-30)32(33,34)35;1-4(2)3/h22-24,28H,4-21,25-27,29H2,1-3H3;/q+1;
InChIKeyIEGVLTYABJKQSN-UHFFFAOYSA-N
MW667.11 g/mol
LogP15.23
Rot. Bonds23

About trichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium

trichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium (PubChem CID 174441406) has the molecular formula C32H57Cl3F3P2+ and a molecular weight of 667.11 g/mol. Its IUPAC name is trichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium.

Molecular Properties

Compound Nametrichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium
PubChem CID174441406
Molecular FormulaC32H57Cl3F3P2+
Molecular Weight667.11 g/mol
Exact Mass665.29
IUPAC Nametrichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium
SMILESCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)Cc1cccc(C(F)(F)F)c1.ClP(Cl)Cl
InChIInChI=1S/C32H57F3P.Cl3P/c1-4-7-10-13-16-19-25-36(26-20-17-14-11-8-5-2,27-21-18-15-12-9-6-3)29-30-23-22-24-31(28-30)32(33,34)35;1-4(2)3/h22-24,28H,4-21,25-27,29H2,1-3H3;/q+1;
InChIKeyIEGVLTYABJKQSN-UHFFFAOYSA-N
XLogP15.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.11
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium?
The IUPAC name of trichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium (CID 174441406) is trichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium.
What is the SMILES notation for trichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium?
The canonical SMILES for trichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium is CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)Cc1cccc(C(F)(F)F)c1.ClP(Cl)Cl.
What is the InChIKey of trichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium?
The InChIKey is IEGVLTYABJKQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H57F3P.Cl3P/c1-4-7-10-13-16-19-25-36(26-20-17-14-11-8-5-2,27-21-18-15-12-9-6-3)29-30-23-22-24-31(28-30)32(33,34)35;1-4(2)3/h22-24,28H,4-21,25-27,29H2,1-3H3;/q+1;.
What are the key properties of trichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium?
trichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium has a molecular weight of 667.11 g/mol, XLogP of 15.23, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichlorophosphane;trioctyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium is sourced from PubChem (CID 174441406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).