potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate

C6F12KNO2 — CID 4271848

IUPACpotassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate
SMILESO=C([O-])C(F)(C(F)(F)F)C(F)(F)N(C(F)(F)F)C(F)(F)F.[K+]
InChIInChI=1S/C6HF12NO2.K/c7-2(1(20)21,3(8,9)10)4(11,12)19(5(13,14)15)6(16,17)18;/h(H,20,21);/q;+1/p-1
InChIKeyVGVFYLXSWXFQNE-UHFFFAOYSA-M
MW385.15 g/mol
LogP-1.05
Rot. Bonds3

About potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate

potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate (PubChem CID 4271848) has the molecular formula C6F12KNO2 and a molecular weight of 385.15 g/mol. Its IUPAC name is potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Namepotassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate
PubChem CID4271848
Molecular FormulaC6F12KNO2
Molecular Weight385.15 g/mol
Exact Mass384.94
IUPAC Namepotassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate
SMILESO=C([O-])C(F)(C(F)(F)F)C(F)(F)N(C(F)(F)F)C(F)(F)F.[K+]
InChIInChI=1S/C6HF12NO2.K/c7-2(1(20)21,3(8,9)10)4(11,12)19(5(13,14)15)6(16,17)18;/h(H,20,21);/q;+1/p-1
InChIKeyVGVFYLXSWXFQNE-UHFFFAOYSA-M
XLogP-1.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.15
LogP ≤ 5-1.05
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

potassium 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
CID 23684023
[2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl] 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropaneperoxoate
CID 15219193
zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)
CID 87694788
dipotassium;2,2,3,3-tetrafluorobutanedioate
CID 154632126
potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate
CID 3767193
4-[bis(trifluoromethyl)amino]-2,2,3,3,4,4-hexafluorobutanoyl fluoride
CID 101034948
sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate
CID 138396485
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
zinc 2,2,2-trifluoroacetate
CID 22604677
sodium 2,2,2-trifluoroacetate
CID 517019
dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate
CID 71669306

Frequently Asked Questions

What is the IUPAC name of potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate?
The IUPAC name of potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate (CID 4271848) is potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate is O=C([O-])C(F)(C(F)(F)F)C(F)(F)N(C(F)(F)F)C(F)(F)F.[K+].
What is the InChIKey of potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate?
The InChIKey is VGVFYLXSWXFQNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6HF12NO2.K/c7-2(1(20)21,3(8,9)10)4(11,12)19(5(13,14)15)6(16,17)18;/h(H,20,21);/q;+1/p-1.
What are the key properties of potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate?
potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate has a molecular weight of 385.15 g/mol, XLogP of -1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 4271848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).