ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate

C8H14F3NO3 — CID 103235295

IUPACethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
SMILESCCOC(=O)CC(O)CNCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-15-7(14)3-6(13)4-12-5-8(9,10)11/h6,12-13H,2-5H2,1H3
InChIKeyLUQPQTOYMKZNIZ-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.45
Rot. Bonds6

About ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate

ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate (PubChem CID 103235295) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
PubChem CID103235295
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Nameethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
SMILESCCOC(=O)CC(O)CNCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-15-7(14)3-6(13)4-12-5-8(9,10)11/h6,12-13H,2-5H2,1H3
InChIKeyLUQPQTOYMKZNIZ-UHFFFAOYSA-N
XLogP0.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
ethyl 3-hydroxy-4-(2-methylsulfanylpropylamino)butanoate
CID 103265433
ethyl 3-hydroxy-4-(2-methylsulfinylpropylamino)butanoate
CID 103265700
ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate
CID 103251512
ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate
CID 103235946
ethyl 3-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 103253206
ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate
CID 103246903
ethyl 3-hydroxy-4-(2,3,4,5,6-pentafluoroanilino)butanoate
CID 103260878
ethyl (3S)-4,4-difluoro-3-hydroxypentanoate
CID 122595250
ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
CID 103234112
ethyl 4-[(1-ethylpiperidin-4-yl)methylamino]-3-hydroxybutanoate
CID 103245845
1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60710703

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate?
The IUPAC name of ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate (CID 103235295) is ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate is CCOC(=O)CC(O)CNCC(F)(F)F.
What is the InChIKey of ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate?
The InChIKey is LUQPQTOYMKZNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-2-15-7(14)3-6(13)4-12-5-8(9,10)11/h6,12-13H,2-5H2,1H3.
What are the key properties of ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate?
ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate has a molecular weight of 229.20 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate is sourced from PubChem (CID 103235295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).