methyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate

C11H12F3NO3 — CID 18700150

IUPACmethyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccc(N)cc1OCC(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-17-10(16)4-7-2-3-8(15)5-9(7)18-6-11(12,13)14/h2-3,5H,4,6,15H2,1H3
InChIKeyMPZSZVPCCHGOJO-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.93
Rot. Bonds4

About methyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate

methyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate (PubChem CID 18700150) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is methyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate
PubChem CID18700150
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Namemethyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccc(N)cc1OCC(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-17-10(16)4-7-2-3-8(15)5-9(7)18-6-11(12,13)14/h2-3,5H,4,6,15H2,1H3
InChIKeyMPZSZVPCCHGOJO-UHFFFAOYSA-N
XLogP1.93
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate (CID 18700150) is methyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate is COC(=O)Cc1ccc(N)cc1OCC(F)(F)F.
What is the InChIKey of methyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate?
The InChIKey is MPZSZVPCCHGOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-17-10(16)4-7-2-3-8(15)5-9(7)18-6-11(12,13)14/h2-3,5H,4,6,15H2,1H3.
What are the key properties of methyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate?
methyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate has a molecular weight of 263.21 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-amino-2-(2,2,2-trifluoroethoxy)phenyl]acetate is sourced from PubChem (CID 18700150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).