potassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate

C9H13F3KNO2 — CID 164922477

IUPACpotassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate
SMILES[K+].[O-]CC12CCCN1CC(OC(F)(F)F)C2
InChIInChI=1S/C9H13F3NO2.K/c10-9(11,12)15-7-4-8(6-14)2-1-3-13(8)5-7;/h7H,1-6H2;/q-1;+1
InChIKeyIGPBEMGKLQGJCF-UHFFFAOYSA-N
MW263.30 g/mol
LogP-2.51
Rot. Bonds2

About potassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate

potassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate (PubChem CID 164922477) has the molecular formula C9H13F3KNO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is potassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate.

Molecular Properties

Compound Namepotassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate
PubChem CID164922477
Molecular FormulaC9H13F3KNO2
Molecular Weight263.30 g/mol
Exact Mass263.05
IUPAC Namepotassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate
SMILES[K+].[O-]CC12CCCN1CC(OC(F)(F)F)C2
InChIInChI=1S/C9H13F3NO2.K/c10-9(11,12)15-7-4-8(6-14)2-1-3-13(8)5-7;/h7H,1-6H2;/q-1;+1
InChIKeyIGPBEMGKLQGJCF-UHFFFAOYSA-N
XLogP-2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-2.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate?
The IUPAC name of potassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate (CID 164922477) is potassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate.
What is the SMILES notation for potassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate?
The canonical SMILES for potassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate is [K+].[O-]CC12CCCN1CC(OC(F)(F)F)C2.
What is the InChIKey of potassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate?
The InChIKey is IGPBEMGKLQGJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3NO2.K/c10-9(11,12)15-7-4-8(6-14)2-1-3-13(8)5-7;/h7H,1-6H2;/q-1;+1.
What are the key properties of potassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate?
potassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate has a molecular weight of 263.30 g/mol, XLogP of -2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2-(trifluoromethoxy)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanolate is sourced from PubChem (CID 164922477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).