potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

C10H8F3KO3 — CID 102071595

IUPACpotassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SMILESCO[C@@](C(=O)[O-])(c1ccccc1)C(F)(F)F.[K+]
InChIInChI=1S/C10H9F3O3.K/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7;/h2-6H,1H3,(H,14,15);/q;+1/p-1/t9-;/m1./s1
InChIKeyDWRHSCSQSGNWCT-SBSPUUFOSA-M
MW272.26 g/mol
LogP-2.16
Rot. Bonds3

About potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate (PubChem CID 102071595) has the molecular formula C10H8F3KO3 and a molecular weight of 272.26 g/mol. Its IUPAC name is potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate.

Molecular Properties

Compound Namepotassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
PubChem CID102071595
Molecular FormulaC10H8F3KO3
Molecular Weight272.26 g/mol
Exact Mass272.01
IUPAC Namepotassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SMILESCO[C@@](C(=O)[O-])(c1ccccc1)C(F)(F)F.[K+]
InChIInChI=1S/C10H9F3O3.K/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7;/h2-6H,1H3,(H,14,15);/q;+1/p-1/t9-;/m1./s1
InChIKeyDWRHSCSQSGNWCT-SBSPUUFOSA-M
XLogP-2.16
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-2.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-methoxy-2-phenylpropanoate;triphenylsulfanium
CID 87756674
(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 67717201
ethyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 156904560
methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropaneperoxoate
CID 87992378
(triphenyl-λ4-sulfanyl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 69259754
butan-2-yl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 13395967
(2R)-3,3,3-trifluoro-2-methyl-2-phenylpropanoate
CID 101271066
methyl (2S,3S)-3-methyl-2-[(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)amino]pentanoate
CID 102095413
(2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid
CID 16681607
2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid
CID 84738628
[(3S,5S)-5-hydroxyhexan-3-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 15449917
[(1S)-2-methylidenecyclopropyl]methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 10447502

Frequently Asked Questions

What is the IUPAC name of potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
The IUPAC name of potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate (CID 102071595) is potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate.
What is the SMILES notation for potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
The canonical SMILES for potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate is CO[C@@](C(=O)[O-])(c1ccccc1)C(F)(F)F.[K+].
What is the InChIKey of potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
The InChIKey is DWRHSCSQSGNWCT-SBSPUUFOSA-M. The full InChI is InChI=1S/C10H9F3O3.K/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7;/h2-6H,1H3,(H,14,15);/q;+1/p-1/t9-;/m1./s1.
What are the key properties of potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate?
potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate has a molecular weight of 272.26 g/mol, XLogP of -2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate is sourced from PubChem (CID 102071595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).