tripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium

C19H27F3N6OP+ — CID 146524933

IUPACtripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium
SMILESFC(F)(F)c1cccc2c1nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1
InChIInChI=1S/C19H27F3N6OP/c20-19(21,22)16-8-7-9-17-18(16)23-24-28(17)29-30(25-10-1-2-11-25,26-12-3-4-13-26)27-14-5-6-15-27/h7-9H,1-6,10-15H2/q+1
InChIKeyAQDAMZHZZUNMJK-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.84
Rot. Bonds5

About tripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium

tripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium (PubChem CID 146524933) has the molecular formula C19H27F3N6OP+ and a molecular weight of 443.43 g/mol. Its IUPAC name is tripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium.

Molecular Properties

Compound Nametripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium
PubChem CID146524933
Molecular FormulaC19H27F3N6OP+
Molecular Weight443.43 g/mol
Exact Mass443.19
IUPAC Nametripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium
SMILESFC(F)(F)c1cccc2c1nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1
InChIInChI=1S/C19H27F3N6OP/c20-19(21,22)16-8-7-9-17-18(16)23-24-28(17)29-30(25-10-1-2-11-25,26-12-3-4-13-26)27-14-5-6-15-27/h7-9H,1-6,10-15H2/q+1
InChIKeyAQDAMZHZZUNMJK-UHFFFAOYSA-N
XLogP3.84
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium hexafluorophosphate
CID 146524932
benzotriazol-1-yloxy-tris(2-oxopyrrolidin-1-yl)phosphanium hexafluorophosphate
CID 175527001
dihydroxy-sulfanylidene-[[(2S,5R)-5-[4-(trifluoromethyl)benzotriazol-1-yl]oxolan-2-yl]methoxy]-λ5-phosphane
CID 154990448
1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole
CID 3819704
6-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol
CID 115047732
3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one
CID 158563339
tert-butyl formate;1-[2-(trifluoromethyl)phenoxy]piperidine
CID 175276627
1-methyl-4-(trifluoromethyl)indazol-3-amine
CID 53403360
benzotriazol-1-ylperoxy(fluoro)phosphinic acid;[fluoro(hydroxy)phosphoryl]oxy-tripyrrolidin-1-ylphosphanium;fluorophosphonic acid
CID 173241498
[1-propan-2-yl-4-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059537
2-methyl-4-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]sulfonylbenzimidazole
CID 152671319
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-pyrrolidin-1-ylethanol
CID 23004032

Frequently Asked Questions

What is the IUPAC name of tripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium?
The IUPAC name of tripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium (CID 146524933) is tripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium.
What is the SMILES notation for tripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium?
The canonical SMILES for tripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium is FC(F)(F)c1cccc2c1nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1.
What is the InChIKey of tripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium?
The InChIKey is AQDAMZHZZUNMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N6OP/c20-19(21,22)16-8-7-9-17-18(16)23-24-28(17)29-30(25-10-1-2-11-25,26-12-3-4-13-26)27-14-5-6-15-27/h7-9H,1-6,10-15H2/q+1.
What are the key properties of tripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium?
tripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium has a molecular weight of 443.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tripyrrolidin-1-yl-[4-(trifluoromethyl)benzotriazol-1-yl]oxyphosphanium is sourced from PubChem (CID 146524933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).