2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid

C6H10F3NO3 — CID 61490459

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid
SMILESO=C(O)CNCCOCC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)4-13-2-1-10-3-5(11)12/h10H,1-4H2,(H,11,12)
InChIKeyGHCFWDSGQNZFEW-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.24
Rot. Bonds6

About 2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid

2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid (PubChem CID 61490459) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid
PubChem CID61490459
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid
SMILESO=C(O)CNCCOCC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)4-13-2-1-10-3-5(11)12/h10H,1-4H2,(H,11,12)
InChIKeyGHCFWDSGQNZFEW-UHFFFAOYSA-N
XLogP0.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-((2,2,2-trifluoroethyl)amino)acetate
CID 28596013
Ethyl 2-((2,2,2-trifluoroethyl)amino)acetate
CID 28596014
(2,2-Difluoroethyl)glycine
CID 60922029
Morpholin-4-ium 2,2,2-trifluoroacetate
CID 71673346
Trifluoroethyleglycine
CID 87094481
Methyl 2-[(2,2-difluoroethyl)amino]acetate
CID 60921367
2-[(2-Methoxyethyl)amino]acetic acid
CID 9964102
aminoethyl N-2-hydroxyethylglycinate
CID 87170566
2-methoxy-N-(2-methoxyethyl)ethanamine;2,2,2-trifluoroacetic acid
CID 22623606
2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 23087526
Morpholine, trifluoroacetate
CID 46242206
Ethyl 2-(difluoromethylamino)acetate
CID 57810457

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid (CID 61490459) is 2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid is O=C(O)CNCCOCC(F)(F)F.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid?
The InChIKey is GHCFWDSGQNZFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c7-6(8,9)4-13-2-1-10-3-5(11)12/h10H,1-4H2,(H,11,12).
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid?
2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid has a molecular weight of 201.14 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetic acid is sourced from PubChem (CID 61490459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).