ethyl (2R)-2-amino-5,5,5-trifluoropentanoate

C7H12F3NO2 — CID 95378431

IUPACethyl (2R)-2-amino-5,5,5-trifluoropentanoate
SMILESCCOC(=O)[C@H](N)CCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-13-6(12)5(11)3-4-7(8,9)10/h5H,2-4,11H2,1H3/t5-/m1/s1
InChIKeyMZXWLIZWWJYYOP-RXMQYKEDSA-N
MW199.17 g/mol
LogP1.22
Rot. Bonds4

About ethyl (2R)-2-amino-5,5,5-trifluoropentanoate

ethyl (2R)-2-amino-5,5,5-trifluoropentanoate (PubChem CID 95378431) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is ethyl (2R)-2-amino-5,5,5-trifluoropentanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-5,5,5-trifluoropentanoate
PubChem CID95378431
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Nameethyl (2R)-2-amino-5,5,5-trifluoropentanoate
SMILESCCOC(=O)[C@H](N)CCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-13-6(12)5(11)3-4-7(8,9)10/h5H,2-4,11H2,1H3/t5-/m1/s1
InChIKeyMZXWLIZWWJYYOP-RXMQYKEDSA-N
XLogP1.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-amino-5,5,5-trifluoropentanoate;hydrochloride
CID 154727174
ethyl 2-amino-4-(3,3,3-trifluoropropylsulfanyl)butanoate
CID 64553138
ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate
CID 63053351
ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride
CID 71743234
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
methyl (2R)-2-amino-6,6,6-trifluorohexanoate
CID 122585346
ethyl (2S)-2-amino-4-ethoxybutanoate
CID 22839428
ethyl 4,4,4-trifluoro-2-hydroxybutanoate
CID 19805842
ethyl 2-(4,4,4-trifluorobutylsulfanyl)hexanoate
CID 87342162
(2S)-2-amino-5,5,5-trifluoropentanoate
CID 152782221
ethyl (2R)-2,6-diaminohexanoate
CID 7018921
ethyl (2S)-2-amino-5-oxopentanoate
CID 87968678

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-5,5,5-trifluoropentanoate?
The IUPAC name of ethyl (2R)-2-amino-5,5,5-trifluoropentanoate (CID 95378431) is ethyl (2R)-2-amino-5,5,5-trifluoropentanoate.
What is the SMILES notation for ethyl (2R)-2-amino-5,5,5-trifluoropentanoate?
The canonical SMILES for ethyl (2R)-2-amino-5,5,5-trifluoropentanoate is CCOC(=O)[C@H](N)CCC(F)(F)F.
What is the InChIKey of ethyl (2R)-2-amino-5,5,5-trifluoropentanoate?
The InChIKey is MZXWLIZWWJYYOP-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-2-13-6(12)5(11)3-4-7(8,9)10/h5H,2-4,11H2,1H3/t5-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-5,5,5-trifluoropentanoate?
ethyl (2R)-2-amino-5,5,5-trifluoropentanoate has a molecular weight of 199.17 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-5,5,5-trifluoropentanoate is sourced from PubChem (CID 95378431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).