2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid

C11H11F3N2O4 — CID 63746569

IUPAC2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H11F3N2O4/c12-11(13,14)6-15-10(19)16-7-3-1-2-4-8(7)20-5-9(17)18/h1-4H,5-6H2,(H,17,18)(H2,15,16,19)
InChIKeyWUQBIVBRLSGUGA-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.83
Rot. Bonds5

About 2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid

2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid (PubChem CID 63746569) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid
PubChem CID63746569
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H11F3N2O4/c12-11(13,14)6-15-10(19)16-7-3-1-2-4-8(7)20-5-9(17)18/h1-4H,5-6H2,(H,17,18)(H2,15,16,19)
InChIKeyWUQBIVBRLSGUGA-UHFFFAOYSA-N
XLogP1.83
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid
CID 63747077
2-[2-(cyclobutylmethylcarbamoylamino)phenoxy]acetic acid
CID 63746736
2-[2-(2-propan-2-yloxyethylcarbamoylamino)phenoxy]acetic acid
CID 104763817
2-[2-(4-methoxybutylcarbamoylamino)phenoxy]acetic acid
CID 63747383
2-[2-(thiophen-3-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 63747084
2-[2-(2-methylprop-2-enoylamino)phenoxy]acetic acid
CID 13070434
1-(2-propylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583957
2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid
CID 35261813
2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid
CID 65266651
2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
CID 63745017
11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid
CID 18795886
2-[2-(3-methylbut-2-enoylamino)phenoxy]acetic acid
CID 55241875

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid (CID 63746569) is 2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid is O=C(O)COc1ccccc1NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is WUQBIVBRLSGUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c12-11(13,14)6-15-10(19)16-7-3-1-2-4-8(7)20-5-9(17)18/h1-4H,5-6H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid?
2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 292.21 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 63746569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).