2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C12H11F4NO4 — CID 79265053

IUPAC2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)COc1ccccc1F
InChIInChI=1S/C12H11F4NO4/c13-8-3-1-2-4-9(8)21-6-10(18)17(5-11(19)20)7-12(14,15)16/h1-4H,5-7H2,(H,19,20)
InChIKeyVSSFFEQVQAWDAR-UHFFFAOYSA-N
MW309.21 g/mol
LogP1.68
Rot. Bonds6

About 2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265053) has the molecular formula C12H11F4NO4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265053
Molecular FormulaC12H11F4NO4
Molecular Weight309.21 g/mol
Exact Mass309.06
IUPAC Name2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)COc1ccccc1F
InChIInChI=1S/C12H11F4NO4/c13-8-3-1-2-4-9(8)21-6-10(18)17(5-11(19)20)7-12(14,15)16/h1-4H,5-7H2,(H,19,20)
InChIKeyVSSFFEQVQAWDAR-UHFFFAOYSA-N
XLogP1.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid
CID 43655608
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
2-[[2-(3-methylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265254
2-[[2-(3-chlorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265064
2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990578
methyl 2-[ethyl-[2-(2-fluorophenoxy)acetyl]amino]acetate
CID 54979366
4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
CID 43092345
2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261024
2-[[2-(2-hydroxyphenoxy)acetyl]-propylamino]acetic acid
CID 54898573
N-(2-aminoethyl)-2-(2-fluorophenoxy)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884947
2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid
CID 63651467
2-[3-(2-fluorophenyl)prop-2-enoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78989745

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265053) is 2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)COc1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is VSSFFEQVQAWDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4NO4/c13-8-3-1-2-4-9(8)21-6-10(18)17(5-11(19)20)7-12(14,15)16/h1-4H,5-7H2,(H,19,20).
What are the key properties of 2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 309.21 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).