methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride

C7H10ClF6NO2 — CID 44717556

IUPACmethyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)CC(C(F)(F)F)C(F)(F)F.Cl
InChIInChI=1S/C7H9F6NO2.ClH/c1-16-5(15)3(14)2-4(6(8,9)10)7(11,12)13;/h3-4H,2,14H2,1H3;1H/t3-;/m0./s1
InChIKeyIFMIFJDRHDDTMH-DFWYDOINSA-N
MW289.60 g/mol
LogP2.04
Rot. Bonds3

About methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride

methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride (PubChem CID 44717556) has the molecular formula C7H10ClF6NO2 and a molecular weight of 289.60 g/mol. Its IUPAC name is methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride
PubChem CID44717556
Molecular FormulaC7H10ClF6NO2
Molecular Weight289.60 g/mol
Exact Mass289.03
IUPAC Namemethyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)CC(C(F)(F)F)C(F)(F)F.Cl
InChIInChI=1S/C7H9F6NO2.ClH/c1-16-5(15)3(14)2-4(6(8,9)10)7(11,12)13;/h3-4H,2,14H2,1H3;1H/t3-;/m0./s1
InChIKeyIFMIFJDRHDDTMH-DFWYDOINSA-N
XLogP2.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride
CID 170911098
methyl 2-amino-4,4,4-trifluorobutanoate;hydrochloride
CID 44717559
methyl (2S)-2-amino-5,5,5-trideuterio-4-fluoro-4-(trideuteriomethyl)pentanoate;hydrochloride
CID 141482288
methyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate
CID 90115107
methyl 2-amino-5,5-dimethyl-4-oxohexanoate;hydrochloride
CID 105481491
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
methyl (2R)-2-amino-6,6,6-trifluorohexanoate
CID 122585346
methyl (2R)-2-amino-4-fluorobutanoate
CID 124512753
methyl (2S)-2-amino-3-chloropropanoate;hydrochloride
CID 13050342
dimethyl (2R)-2-aminobutanedioate
CID 6994535

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride (CID 44717556) is methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride is COC(=O)[C@@H](N)CC(C(F)(F)F)C(F)(F)F.Cl.
What is the InChIKey of methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride?
The InChIKey is IFMIFJDRHDDTMH-DFWYDOINSA-N. The full InChI is InChI=1S/C7H9F6NO2.ClH/c1-16-5(15)3(14)2-4(6(8,9)10)7(11,12)13;/h3-4H,2,14H2,1H3;1H/t3-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride?
methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride has a molecular weight of 289.60 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride is sourced from PubChem (CID 44717556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).