2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid

C8H14F3NO3 — CID 80995896

IUPAC2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid
SMILESCCN(CCO)CC(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-12(3-4-13)5-6(7(14)15)8(9,10)11/h6,13H,2-5H2,1H3,(H,14,15)
InChIKeyCCABQLPMECCTKS-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.56
Rot. Bonds6

About 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid

2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 80995896) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid
PubChem CID80995896
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid
SMILESCCN(CCO)CC(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-12(3-4-13)5-6(7(14)15)8(9,10)11/h6,13H,2-5H2,1H3,(H,14,15)
InChIKeyCCABQLPMECCTKS-UHFFFAOYSA-N
XLogP0.56
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Diethylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 13637580
2-[2-Hydroxyethyl(methyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid
CID 175205705
2-[2-Hydroxyethyl(propyl)amino]ethanol;2,2,3,3,3-pentafluoropropanoic acid
CID 175209904
2-Methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanoic acid
CID 55007408
3-[Ethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-2-methylpropanoic acid
CID 55122718
2-Methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 60891764
3-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 61490822
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 61490868
2-Methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
CID 61599470
3-[2,2-Difluoroethyl(methyl)amino]-2-methylpropanoic acid
CID 61599735
2-Methyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 61604944
3-[Ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanoic acid
CID 61605089

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid (CID 80995896) is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid is CCN(CCO)CC(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is CCABQLPMECCTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-2-12(3-4-13)5-6(7(14)15)8(9,10)11/h6,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid?
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 229.20 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 80995896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).