potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate

C8F14KNO2 — CID 3767193

IUPACpotassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate
SMILESO=C([O-])C(F)(C(F)(F)F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C1(F)F.[K+]
InChIInChI=1S/C8HF14NO2.K/c9-2(1(24)25,5(14,15)16)6(17,18)23-7(19,20)3(10,11)4(12,13)8(23,21)22;/h(H,24,25);/q;+1/p-1
InChIKeyURDTXFSUEZUBDH-UHFFFAOYSA-M
MW447.16 g/mol
LogP-0.62
Rot. Bonds3

About potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate

potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate (PubChem CID 3767193) has the molecular formula C8F14KNO2 and a molecular weight of 447.16 g/mol. Its IUPAC name is potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Namepotassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate
PubChem CID3767193
Molecular FormulaC8F14KNO2
Molecular Weight447.16 g/mol
Exact Mass446.93
IUPAC Namepotassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate
SMILESO=C([O-])C(F)(C(F)(F)F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C1(F)F.[K+]
InChIInChI=1S/C8HF14NO2.K/c9-2(1(24)25,5(14,15)16)6(17,18)23-7(19,20)3(10,11)4(12,13)8(23,21)22;/h(H,24,25);/q;+1/p-1
InChIKeyURDTXFSUEZUBDH-UHFFFAOYSA-M
XLogP-0.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Sodium 3-(2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidinyl)-2,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 126957410
potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate
CID 5235810
potassium 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
CID 23684023
sodium 6-[[2-[(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl]amino]hexanoate
CID 130238272
zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)
CID 87694788
potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate
CID 4220247
sodium 4-[[2-[(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl]amino]benzenesulfonate
CID 129185121
(2S)-2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoic acid
CID 98130159
3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid
CID 88649885
2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroazepan-1-yl)-2,3,3,3-tetrafluoropropanoyl fluoride
CID 14249747
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine
CID 2776242
2,2,3,3-tetrafluoro-3-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanal
CID 174910372

Frequently Asked Questions

What is the IUPAC name of potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate?
The IUPAC name of potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate (CID 3767193) is potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate is O=C([O-])C(F)(C(F)(F)F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C1(F)F.[K+].
What is the InChIKey of potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate?
The InChIKey is URDTXFSUEZUBDH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8HF14NO2.K/c9-2(1(24)25,5(14,15)16)6(17,18)23-7(19,20)3(10,11)4(12,13)8(23,21)22;/h(H,24,25);/q;+1/p-1.
What are the key properties of potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate?
potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate has a molecular weight of 447.16 g/mol, XLogP of -0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 3767193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).