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

C10H10F3NO2 — CID 54558571

IUPACmethyl 2-[4-amino-2-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-16-9(15)4-6-2-3-7(14)5-8(6)10(11,12)13/h2-3,5H,4,14H2,1H3
InChIKeyZOYAMPCPDDEDAI-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.00
Rot. Bonds2

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

methyl 2-[4-amino-2-(trifluoromethyl)phenyl]acetate (PubChem CID 54558571) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is methyl 2-[4-amino-2-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-amino-2-(trifluoromethyl)phenyl]acetate
PubChem CID54558571
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Namemethyl 2-[4-amino-2-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-16-9(15)4-6-2-3-7(14)5-8(6)10(11,12)13/h2-3,5H,4,14H2,1H3
InChIKeyZOYAMPCPDDEDAI-UHFFFAOYSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-amino-2-(trifluoromethyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-amino-2-(trifluoromethyl)phenyl]acetate (CID 54558571) is methyl 2-[4-amino-2-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-amino-2-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-amino-2-(trifluoromethyl)phenyl]acetate is COC(=O)Cc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of methyl 2-[4-amino-2-(trifluoromethyl)phenyl]acetate?
The InChIKey is ZOYAMPCPDDEDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-16-9(15)4-6-2-3-7(14)5-8(6)10(11,12)13/h2-3,5H,4,14H2,1H3.
What are the key properties of methyl 2-[4-amino-2-(trifluoromethyl)phenyl]acetate?
methyl 2-[4-amino-2-(trifluoromethyl)phenyl]acetate has a molecular weight of 233.19 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-amino-2-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 54558571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).