potassium 2,2-difluoro-2-piperidin-1-ylacetate

C7H10F2KNO2 — CID 23717379

IUPACpotassium 2,2-difluoro-2-piperidin-1-ylacetate
SMILESO=C([O-])C(F)(F)N1CCCCC1.[K+]
InChIInChI=1S/C7H11F2NO2.K/c8-7(9,6(11)12)10-4-2-1-3-5-10;/h1-5H2,(H,11,12);/q;+1/p-1
InChIKeyHIDIPLFVKNEXCQ-UHFFFAOYSA-M
MW217.26 g/mol
LogP-3.18
Rot. Bonds2

About potassium 2,2-difluoro-2-piperidin-1-ylacetate

potassium 2,2-difluoro-2-piperidin-1-ylacetate (PubChem CID 23717379) has the molecular formula C7H10F2KNO2 and a molecular weight of 217.26 g/mol. Its IUPAC name is potassium 2,2-difluoro-2-piperidin-1-ylacetate.

Molecular Properties

Compound Namepotassium 2,2-difluoro-2-piperidin-1-ylacetate
PubChem CID23717379
Molecular FormulaC7H10F2KNO2
Molecular Weight217.26 g/mol
Exact Mass217.03
IUPAC Namepotassium 2,2-difluoro-2-piperidin-1-ylacetate
SMILESO=C([O-])C(F)(F)N1CCCCC1.[K+]
InChIInChI=1S/C7H11F2NO2.K/c8-7(9,6(11)12)10-4-2-1-3-5-10;/h1-5H2,(H,11,12);/q;+1/p-1
InChIKeyHIDIPLFVKNEXCQ-UHFFFAOYSA-M
XLogP-3.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-3.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Piperidineacetate sodium salt
CID 129855683
2-(2,2,3,3,4,4,5,5,6,6-Decafluoropiperidin-1-yl)acetic acid
CID 23370829
Potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate
CID 23717380
2,2,2-Trifluoroethyl 2-piperidin-1-ylacetate
CID 59012994
1-Piperidineacetic acid, 4,4-difluoro-, methyl ester
CID 67047003
2-Piperidin-1-ylacetic acid;2,2,2-trifluoroacetic acid
CID 70060753
2-(4-Fluoropiperidin-1-yl)acetic acid
CID 73554114
2-(4,4-Difluoropiperidin-1-yl)acetic acid
CID 84614619
(2-Piperidin-1-ylacetyl) 2,2,2-trifluoroacetate
CID 88130261
Potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)acetate
CID 88407252
2-(3,3-Difluoropiperidin-1-yl)acetic acid
CID 115015303
Fluoro 2,2-difluoro-2-piperidin-1-ylacetate
CID 118679476

Frequently Asked Questions

What is the IUPAC name of potassium 2,2-difluoro-2-piperidin-1-ylacetate?
The IUPAC name of potassium 2,2-difluoro-2-piperidin-1-ylacetate (CID 23717379) is potassium 2,2-difluoro-2-piperidin-1-ylacetate.
What is the SMILES notation for potassium 2,2-difluoro-2-piperidin-1-ylacetate?
The canonical SMILES for potassium 2,2-difluoro-2-piperidin-1-ylacetate is O=C([O-])C(F)(F)N1CCCCC1.[K+].
What is the InChIKey of potassium 2,2-difluoro-2-piperidin-1-ylacetate?
The InChIKey is HIDIPLFVKNEXCQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11F2NO2.K/c8-7(9,6(11)12)10-4-2-1-3-5-10;/h1-5H2,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 2,2-difluoro-2-piperidin-1-ylacetate?
potassium 2,2-difluoro-2-piperidin-1-ylacetate has a molecular weight of 217.26 g/mol, XLogP of -3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,2-difluoro-2-piperidin-1-ylacetate is sourced from PubChem (CID 23717379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).