potassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate

C7H9F2KO4 — CID 175724797

IUPACpotassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate
SMILESCC(C[C@H](C(=O)[O-])C(F)F)C(=O)O.[K+]
InChIInChI=1S/C7H10F2O4.K/c1-3(6(10)11)2-4(5(8)9)7(12)13;/h3-5H,2H2,1H3,(H,10,11)(H,12,13);/q;+1/p-1/t3?,4-;/m0./s1
InChIKeyOCAAOXXTPXTRAF-LXNQBTANSA-M
MW234.24 g/mol
LogP-3.27
Rot. Bonds5

About potassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate

potassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate (PubChem CID 175724797) has the molecular formula C7H9F2KO4 and a molecular weight of 234.24 g/mol. Its IUPAC name is potassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate.

Molecular Properties

Compound Namepotassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate
PubChem CID175724797
Molecular FormulaC7H9F2KO4
Molecular Weight234.24 g/mol
Exact Mass234.01
IUPAC Namepotassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate
SMILESCC(C[C@H](C(=O)[O-])C(F)F)C(=O)O.[K+]
InChIInChI=1S/C7H10F2O4.K/c1-3(6(10)11)2-4(5(8)9)7(12)13;/h3-5H,2H2,1H3,(H,10,11)(H,12,13);/q;+1/p-1/t3?,4-;/m0./s1
InChIKeyOCAAOXXTPXTRAF-LXNQBTANSA-M
XLogP-3.27
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 5-3.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxypentane-1,2,4-tricarboxylic acid
CID 159403665
4-amino-2-methylpentanoic acid
CID 22105024
2-methylbutanoate
CID 91073357
dipotassium;2,3-diethylbutanedioate
CID 88780134
2-(1,1-difluoropropan-2-ylamino)-4-methylpentanoic acid
CID 102869392
3-(2-fluoropropoxy)-2-methylpropanoic acid
CID 84651804
cobalt(2+);bis((2R)-2-methylbutanoate)
CID 90199434
magnesium bis(2-methylbutanoate)
CID 88739715
bis(2-methylbutanoate);niobium(2+)
CID 18939928
3-iodo-2-methylpropanoate
CID 19426736
2,5,5-trifluoro-4-methylpentanoic acid
CID 140926725
3-hydroxy-2-methyl-3-oxopropanoate
CID 5461058

Frequently Asked Questions

What is the IUPAC name of potassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate?
The IUPAC name of potassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate (CID 175724797) is potassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate.
What is the SMILES notation for potassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate?
The canonical SMILES for potassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate is CC(C[C@H](C(=O)[O-])C(F)F)C(=O)O.[K+].
What is the InChIKey of potassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate?
The InChIKey is OCAAOXXTPXTRAF-LXNQBTANSA-M. The full InChI is InChI=1S/C7H10F2O4.K/c1-3(6(10)11)2-4(5(8)9)7(12)13;/h3-5H,2H2,1H3,(H,10,11)(H,12,13);/q;+1/p-1/t3?,4-;/m0./s1.
What are the key properties of potassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate?
potassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate has a molecular weight of 234.24 g/mol, XLogP of -3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2R)-2-(difluoromethyl)-5-hydroxy-4-methyl-5-oxopentanoate is sourced from PubChem (CID 175724797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).