potassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate

C8H8F6KNO3 — CID 51063040

IUPACpotassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate
SMILESO=C([O-])C(F)(C(F)(F)F)C(F)(F)N1CCOCC1.[K+]
InChIInChI=1S/C8H9F6NO3.K/c9-6(5(16)17,7(10,11)12)8(13,14)15-1-3-18-4-2-15;/h1-4H2,(H,16,17);/q;+1/p-1
InChIKeyWLAFLHPPXQYINZ-UHFFFAOYSA-M
MW319.24 g/mol
LogP-3.06
Rot. Bonds3

About potassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate

potassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate (PubChem CID 51063040) has the molecular formula C8H8F6KNO3 and a molecular weight of 319.24 g/mol. Its IUPAC name is potassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Namepotassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate
PubChem CID51063040
Molecular FormulaC8H8F6KNO3
Molecular Weight319.24 g/mol
Exact Mass319.00
IUPAC Namepotassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate
SMILESO=C([O-])C(F)(C(F)(F)F)C(F)(F)N1CCOCC1.[K+]
InChIInChI=1S/C8H9F6NO3.K/c9-6(5(16)17,7(10,11)12)8(13,14)15-1-3-18-4-2-15;/h1-4H2,(H,16,17);/q;+1/p-1
InChIKeyWLAFLHPPXQYINZ-UHFFFAOYSA-M
XLogP-3.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 5-3.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate?
The IUPAC name of potassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate (CID 51063040) is potassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for potassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for potassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate is O=C([O-])C(F)(C(F)(F)F)C(F)(F)N1CCOCC1.[K+].
What is the InChIKey of potassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate?
The InChIKey is WLAFLHPPXQYINZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9F6NO3.K/c9-6(5(16)17,7(10,11)12)8(13,14)15-1-3-18-4-2-15;/h1-4H2,(H,16,17);/q;+1/p-1.
What are the key properties of potassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate?
potassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate has a molecular weight of 319.24 g/mol, XLogP of -3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 51063040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).