2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate

C10H10F3NO2 — CID 28689944

IUPAC2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate
SMILESNc1ccccc1CC(=O)OCC(F)(F)F
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)6-16-9(15)5-7-3-1-2-4-8(7)14/h1-4H,5-6,14H2
InChIKeyGXKFISHYAJBOPQ-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.92
Rot. Bonds3

About 2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate

2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate (PubChem CID 28689944) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate
PubChem CID28689944
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate
SMILESNc1ccccc1CC(=O)OCC(F)(F)F
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)6-16-9(15)5-7-3-1-2-4-8(7)14/h1-4H,5-6,14H2
InChIKeyGXKFISHYAJBOPQ-UHFFFAOYSA-N
XLogP1.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-(2-aminophenyl)acetate
CID 67741343
2,2,2-trifluoroethyl 2-(2-amino-4-methylphenyl)acetate
CID 99991426
(3-hydroxy-3-methylbutyl) 2-(2-aminophenyl)acetate
CID 79356038
[2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
CID 61321081
pyridin-2-ylmethyl 2-(2-aminophenyl)acetate
CID 61320697
2-(2-aminophenyl)acetyl bromide;hydrobromide
CID 71437218
(2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate
CID 61321843
2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate
CID 106448277
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515
N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205556
2,2,2-trifluoroethyl 2-(2-formylphenoxy)acetate
CID 87891614
2,2,2-trifluoroethyl 2-amino-6-chlorobenzoate
CID 63661327

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate?
The IUPAC name of 2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate (CID 28689944) is 2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate is Nc1ccccc1CC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate?
The InChIKey is GXKFISHYAJBOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)6-16-9(15)5-7-3-1-2-4-8(7)14/h1-4H,5-6,14H2.
What are the key properties of 2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate?
2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate has a molecular weight of 233.19 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate is sourced from PubChem (CID 28689944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).