chempirical

Chlorotri(1-pyrrolidinyl)phosphonium hexafluorophosphate

C12H24ClF6N3P2CAS 133894-48-1421.73 g/mol

Open in Covalent MOL file
NP+NNClFP−FFFFF
Tertiary amine

Properties

Molecular formula
C12H24ClF6N3P2
Molar mass
421.73 g/mol
Exact mass
421.1038 Da
logP
6.57Crippen estimate
Polar surface area
9.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
133894-48-1
SMILES
C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)Cl.F[P-](F)(F)(F)(F)F
InChIKey
BSCYRXJVGSZNKX-UHFFFAOYSA-N
InChI
InChI=1S/C12H24ClN3P.F6P/c13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;1-7(2,3,4,5)6/h1-12H2;/q+1;-1

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Names and synonyms

1 names
  • Chlorotripyrrolidinophosphonium hexafluorophosphate

Work with Chlorotri(1-pyrrolidinyl)phosphonium hexafluorophosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

PyBroP132705-51-254 % similar 1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium hexafluorophosphate135540-11-335 % similar Chlorodipiperidinocarbenium hexafluorophosphate161308-40-334 % similar Bis(tetramethylene)fluoroformamidinium hexafluorophosphate164298-25-333 % similar PyBOP128625-52-532 % similar (6-Chloro-1H-benzotriazol-1-yloxy)tripyrrolidinophosphonium Hexafluorophosphate893413-42-831 % similar Hexafluorophosphoric acid16940-81-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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