tributyl(trifluoromethyl)phosphanium

C13H27F3P+ — CID 21062500

IUPACtributyl(trifluoromethyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)C(F)(F)F
InChIInChI=1S/C13H27F3P/c1-4-7-10-17(11-8-5-2,12-9-6-3)13(14,15)16/h4-12H2,1-3H3/q+1
InChIKeyZHOSYRDDSATOGY-UHFFFAOYSA-N
MW271.33 g/mol
LogP5.92
Rot. Bonds9

About tributyl(trifluoromethyl)phosphanium

tributyl(trifluoromethyl)phosphanium (PubChem CID 21062500) has the molecular formula C13H27F3P+ and a molecular weight of 271.33 g/mol. Its IUPAC name is tributyl(trifluoromethyl)phosphanium.

Molecular Properties

Compound Nametributyl(trifluoromethyl)phosphanium
PubChem CID21062500
Molecular FormulaC13H27F3P+
Molecular Weight271.33 g/mol
Exact Mass271.18
IUPAC Nametributyl(trifluoromethyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)C(F)(F)F
InChIInChI=1S/C13H27F3P/c1-4-7-10-17(11-8-5-2,12-9-6-3)13(14,15)16/h4-12H2,1-3H3/q+1
InChIKeyZHOSYRDDSATOGY-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.33
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Tri(n-butyl)difluorophosphorane
CID 6424901
Dibutyl(trifluoro)-lambda5-phosphane
CID 13706521
Di-s-butyltrifluorophosphorane
CID 85662766
Di(propan-2-yl)-sulfanylidene-(1,2,2-trifluoroethenyl)-lambda5-phosphane
CID 85992677
Difluoro-tri(propan-2-yl)-lambda5-phosphane
CID 12755172
Dimethyl(3,3,3-trifluoropropyl)phosphane
CID 12844542
1-[Bis(trifluoromethyl)phosphanyl]butan-2-yl-bis(trifluoromethyl)phosphane
CID 20063726
Dimethyl-(trifluoromethyl)-(2-trimethylphosphaniumylethyl)phosphanium
CID 20802276
Tributyl(2,2,2-trifluoroethyl)phosphanium
CID 21062497
Triethyl(1,1,2,2,3,3,3-heptafluoropropyl)phosphanium
CID 21062501
Butyl(trifluoromethyl)phosphane
CID 21096689
Propyl(trifluoromethyl)phosphane
CID 21096795

Frequently Asked Questions

What is the IUPAC name of tributyl(trifluoromethyl)phosphanium?
The IUPAC name of tributyl(trifluoromethyl)phosphanium (CID 21062500) is tributyl(trifluoromethyl)phosphanium.
What is the SMILES notation for tributyl(trifluoromethyl)phosphanium?
The canonical SMILES for tributyl(trifluoromethyl)phosphanium is CCCC[P+](CCCC)(CCCC)C(F)(F)F.
What is the InChIKey of tributyl(trifluoromethyl)phosphanium?
The InChIKey is ZHOSYRDDSATOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3P/c1-4-7-10-17(11-8-5-2,12-9-6-3)13(14,15)16/h4-12H2,1-3H3/q+1.
What are the key properties of tributyl(trifluoromethyl)phosphanium?
tributyl(trifluoromethyl)phosphanium has a molecular weight of 271.33 g/mol, XLogP of 5.92, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(trifluoromethyl)phosphanium is sourced from PubChem (CID 21062500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).