methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate

C10H11F3N2O2 — CID 54935472

IUPACmethyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate
SMILESCOC(=O)CNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-17-9(16)5-15-8-3-2-6(14)4-7(8)10(11,12)13/h2-4,15H,5,14H2,1H3
InChIKeyARMNOIDFDVINOM-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.87
Rot. Bonds3

About methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate

methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate (PubChem CID 54935472) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate
PubChem CID54935472
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Namemethyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate
SMILESCOC(=O)CNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-17-9(16)5-15-8-3-2-6(14)4-7(8)10(11,12)13/h2-4,15H,5,14H2,1H3
InChIKeyARMNOIDFDVINOM-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Morpholin-4-yl)-2-(trifluoromethyl)aniline
CID 822225
Ethyl 2-{[2-oxo-4-(trifluoromethyl)-1,2-dihydroquinolin-6-yl](2,2,2-trifluoroethyl)amino}acetate
CID 23648057
Methyl 2-[3-(trifluoromethyl)anilino]acetate
CID 251270
Glycine, N-ethyl-N-(3-methylphenyl)-, 2,2,2-trifluoroethyl ester
CID 174709
(4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester
CID 302677
(3-Trifluoromethyl-phenylamino)-acetic acid ethyl ester
CID 247832
Ethyl [(3-methylphenyl)amino]acetate
CID 302673
Methyl N-(2,6-dimethylphenyl)-DL-alaninate
CID 94555
(S)-methyl 2-(3-(3-(trifluoromethyl)phenyl)ureido)propanoate
CID 664221
N-[3-(trifluoromethyl)phenyl]-N'-[2-(vinyloxy)ethyl]ethanediamide
CID 2902294
Ethyl 2-(3-fluoro-4-methylanilino)acetate
CID 302645
1,4-Bisacetylamino-2-trifluoromethylbenzene
CID 759174

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate?
The IUPAC name of methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate (CID 54935472) is methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate.
What is the SMILES notation for methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate?
The canonical SMILES for methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate is COC(=O)CNc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate?
The InChIKey is ARMNOIDFDVINOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-17-9(16)5-15-8-3-2-6(14)4-7(8)10(11,12)13/h2-4,15H,5,14H2,1H3.
What are the key properties of methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate?
methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate has a molecular weight of 248.20 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate is sourced from PubChem (CID 54935472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).