cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate

C13H24F6N4P2 — CID 141012644

IUPACcyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.N#C[P+](N1CCCC1)(N1CCCC1)N1CCCC1
InChIInChI=1S/C13H24N4P.F6P/c14-13-18(15-7-1-2-8-15,16-9-3-4-10-16)17-11-5-6-12-17;1-7(2,3,4,5)6/h1-12H2;/q+1;-1
InChIKeyWUHQAAODGMQRBI-UHFFFAOYSA-N
MW412.30 g/mol
LogP5.90
Rot. Bonds3

About cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate

cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate (PubChem CID 141012644) has the molecular formula C13H24F6N4P2 and a molecular weight of 412.30 g/mol. Its IUPAC name is cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate.

Molecular Properties

Compound Namecyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate
PubChem CID141012644
Molecular FormulaC13H24F6N4P2
Molecular Weight412.30 g/mol
Exact Mass412.14
IUPAC Namecyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.N#C[P+](N1CCCC1)(N1CCCC1)N1CCCC1
InChIInChI=1S/C13H24N4P.F6P/c14-13-18(15-7-1-2-8-15,16-9-3-4-10-16)17-11-5-6-12-17;1-7(2,3,4,5)6/h1-12H2;/q+1;-1
InChIKeyWUHQAAODGMQRBI-UHFFFAOYSA-N
XLogP5.90
TPSA33.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.30
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pyrrolidine-1-carbonitrile;hydrochloride
CID 18454671
2-(azonan-1-yl)acetonitrile
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(2,3,4,5,6-pentafluorophenoxy)-tripyrrolidin-1-ylphosphanium
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2-(1,2-oxazolidin-2-yl)butanenitrile
CID 126993427
hexakis(bromo(tripyrrolidin-1-yl)phosphanium);hexafluoride
CID 157117793
manganese;tetrakis(1,4,7-trimethyl-1,4,7-triazonane);dihexafluorophosphate;hexahydrate
CID 159801250
acetonitrile;hydron;hexafluorophosphate
CID 162334933
2-cyclopentyl-2-piperidin-1-ylacetonitrile
CID 62071262
3,3,3-trifluoro-2-[(piperidin-1-ylamino)methyl]propanenitrile
CID 103367484
methanolate;tetra(piperidin-1-yl)phosphanium
CID 175015869
2-piperidin-1-yl-2-(2,4,5-trifluorophenyl)acetonitrile
CID 114058088
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CID 21263337

Frequently Asked Questions

What is the IUPAC name of cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate?
The IUPAC name of cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate (CID 141012644) is cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate.
What is the SMILES notation for cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate?
The canonical SMILES for cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate is F[P-](F)(F)(F)(F)F.N#C[P+](N1CCCC1)(N1CCCC1)N1CCCC1.
What is the InChIKey of cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate?
The InChIKey is WUHQAAODGMQRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4P.F6P/c14-13-18(15-7-1-2-8-15,16-9-3-4-10-16)17-11-5-6-12-17;1-7(2,3,4,5)6/h1-12H2;/q+1;-1.
What are the key properties of cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate?
cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate has a molecular weight of 412.30 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyano(tripyrrolidin-1-yl)phosphanium hexafluorophosphate is sourced from PubChem (CID 141012644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).