methyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate

C10H9F3N2O2 — CID 143192003

IUPACmethyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate
SMILES[H]/N=C(\C(=O)OC)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H9F3N2O2/c1-17-9(16)8(15)6-3-2-5(4-7(6)14)10(11,12)13/h2-4,15H,14H2,1H3/b15-8-
InChIKeyONOVIWVVALZUTR-NVNXTCNLSA-N
MW246.19 g/mol
LogP1.83
Rot. Bonds2

About methyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate

methyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate (PubChem CID 143192003) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is methyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate.

Molecular Properties

Compound Namemethyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate
PubChem CID143192003
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Namemethyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate
SMILES[H]/N=C(\C(=O)OC)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H9F3N2O2/c1-17-9(16)8(15)6-3-2-5(4-7(6)14)10(11,12)13/h2-4,15H,14H2,1H3/b15-8-
InChIKeyONOVIWVVALZUTR-NVNXTCNLSA-N
XLogP1.83
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate 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

Methyl 2-(2-aminophenyl)acetate hydrochloride
CID 5743388
Methyl 2-aminobenzeneacetate
CID 5743389
Ethyl 2-cyano-2-[2-(hydroxyamino)-4-(trifluoromethyl)phenyl]acetate
CID 178342410
ethyl 2-amino-6-(trifluoromethyl)-3H-indole-3-carboxylate
CID 178342414
(2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid
CID 6188221
2,2,2-Trifluoroethyl 2-(2-aminophenyl)acetate
CID 28689944
2-(2-Amino-4-(trifluoromethyl)phenyl)acetic acid
CID 44558110
Methyl 2-(2-amino-4-fluorophenyl)acetate
CID 54072159
(2-Acetylamino-4-trifluoromethylphenyl)-acetic acid methyl ester
CID 57633614
Methyl 2-(2-amino-4-(trifluoromethyl)phenyl)acetate
CID 58919843
Methyl 2-(2-amino-4,5-difluorophenyl)acetate
CID 66656825
2-(2-Amino-4-methylphenyl)acetic acid
CID 67052988

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate?
The IUPAC name of methyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate (CID 143192003) is methyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate.
What is the SMILES notation for methyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate?
The canonical SMILES for methyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate is [H]/N=C(\C(=O)OC)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of methyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate?
The InChIKey is ONOVIWVVALZUTR-NVNXTCNLSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c1-17-9(16)8(15)6-3-2-5(4-7(6)14)10(11,12)13/h2-4,15H,14H2,1H3/b15-8-.
What are the key properties of methyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate?
methyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate has a molecular weight of 246.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-iminoacetate is sourced from PubChem (CID 143192003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).