ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate

C9H16F3NO3 — CID 107480919

IUPACethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCCOC(=O)C(C)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-3-16-8(15)7(2)13(4-5-14)6-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyDPOHECXRLFFGID-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.79
Rot. Bonds6

About ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate

ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 107480919) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID107480919
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Nameethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCCOC(=O)C(C)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-3-16-8(15)7(2)13(4-5-14)6-9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyDPOHECXRLFFGID-UHFFFAOYSA-N
XLogP0.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 107493147
N-carbamoyl-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanamide
CID 107485792
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-phenylpropan-1-one
CID 107481265
ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate
CID 62116345
2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107478931
tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64686559
ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64710237
ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
CID 83040661
ethyl (2S)-2-[2-[bis[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]ethyl-[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]propanoate
CID 15468522
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64898086
ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate
CID 64663015
N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 107483398

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate (CID 107480919) is ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate is CCOC(=O)C(C)N(CCO)CC(F)(F)F.
What is the InChIKey of ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is DPOHECXRLFFGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-3-16-8(15)7(2)13(4-5-14)6-9(10,11)12/h7,14H,3-6H2,1-2H3.
What are the key properties of ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate?
ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 243.22 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 107480919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).