2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid

C8H14F3NO3 — CID 61490866

IUPAC2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
SMILESCCN(CCOCC(F)(F)F)CC(=O)O
InChIInChI=1S/C8H14F3NO3/c1-2-12(5-7(13)14)3-4-15-6-8(9,10)11/h2-6H2,1H3,(H,13,14)
InChIKeyVWYAAMWNGNHHFK-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.97
Rot. Bonds7

About 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid

2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid (PubChem CID 61490866) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
PubChem CID61490866
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
SMILESCCN(CCOCC(F)(F)F)CC(=O)O
InChIInChI=1S/C8H14F3NO3/c1-2-12(5-7(13)14)3-4-15-6-8(9,10)11/h2-6H2,1H3,(H,13,14)
InChIKeyVWYAAMWNGNHHFK-UHFFFAOYSA-N
XLogP0.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl bis(trifluoromethyl)aminoacetate
CID 17927175
Nitrilotriacetic acid monoethyl ester
CID 54043700
[(2-Hydroxyethyl)azanediyl]bis(ethane-2,1-diyl) bis(2,2,2-trifluoroacetate)
CID 91717610
Methanamine, bis(2-trifluoroacetoxyethyl)-
CID 603532
Ethanamine, N,N-bis(2-trifluoroacetoxyethyl)-
CID 607729
2-(Diethylamino)ethyl 2,2,2-trifluoroacetate
CID 59204074
4-(2-Hydroxyethyl)-4-methyl-2-oxomorpholinium trifluoroacetate
CID 163203754
Ethyl 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 44190410
4-Methylmorpholine;2,2,2-trifluoroacetic acid
CID 21271055
2-[(2-Ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 22089272
2-(Dimethylamino)ethyl 2,2,2-trifluoroacetate
CID 23019467
2-[Methyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 43350784

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid (CID 61490866) is 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid is CCN(CCOCC(F)(F)F)CC(=O)O.
What is the InChIKey of 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
The InChIKey is VWYAAMWNGNHHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-2-12(5-7(13)14)3-4-15-6-8(9,10)11/h2-6H2,1H3,(H,13,14).
What are the key properties of 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid?
2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid has a molecular weight of 229.20 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid is sourced from PubChem (CID 61490866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).