potassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride

C2H3BrF2KNaO2 — CID 175208063

IUPACpotassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride
SMILESO=C(O)C(F)(F)Br.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C2HBrF2O2.K.Na.2H/c3-2(4,5)1(6)7;;;;/h(H,6,7);;;;/q;2*+1;2*-1
InChIKeyTXXLJJBWYCEALQ-UHFFFAOYSA-N
MW239.03 g/mol
LogP-4.71
Rot. Bonds1

About potassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride

potassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride (PubChem CID 175208063) has the molecular formula C2H3BrF2KNaO2 and a molecular weight of 239.03 g/mol. Its IUPAC name is potassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride.

Molecular Properties

Compound Namepotassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride
PubChem CID175208063
Molecular FormulaC2H3BrF2KNaO2
Molecular Weight239.03 g/mol
Exact Mass237.88
IUPAC Namepotassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride
SMILESO=C(O)C(F)(F)Br.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C2HBrF2O2.K.Na.2H/c3-2(4,5)1(6)7;;;;/h(H,6,7);;;;/q;2*+1;2*-1
InChIKeyTXXLJJBWYCEALQ-UHFFFAOYSA-N
XLogP-4.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 5-4.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

CID 131862435
CID 131862435
2,3-dibromo-2,3-difluorobutanedioic acid
CID 87865414
calcium;2-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid;hydride
CID 173148505
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
sodium;hydride;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 173413742
2,2-difluoropropanedioic acid
CID 10130002
CID 85392225
CID 85392225
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride?
The IUPAC name of potassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride (CID 175208063) is potassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride.
What is the SMILES notation for potassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride?
The canonical SMILES for potassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride is O=C(O)C(F)(F)Br.[H-].[H-].[K+].[Na+].
What is the InChIKey of potassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride?
The InChIKey is TXXLJJBWYCEALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HBrF2O2.K.Na.2H/c3-2(4,5)1(6)7;;;;/h(H,6,7);;;;/q;2*+1;2*-1.
What are the key properties of potassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride?
potassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride has a molecular weight of 239.03 g/mol, XLogP of -4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;2-bromo-2,2-difluoroacetic acid;hydride is sourced from PubChem (CID 175208063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).