ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate

C11H12F3NO3 — CID 134633504

IUPACethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1cc(N)ccc1OC(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-2-17-10(16)6-7-5-8(15)3-4-9(7)18-11(12,13)14/h3-5H,2,6,15H2,1H3
InChIKeyLQPPNXOQTSRJBA-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.27
Rot. Bonds4

About ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate

ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate (PubChem CID 134633504) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate
PubChem CID134633504
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Nameethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1cc(N)ccc1OC(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-2-17-10(16)6-7-5-8(15)3-4-9(7)18-11(12,13)14/h3-5H,2,6,15H2,1H3
InChIKeyLQPPNXOQTSRJBA-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]acetate
CID 170997918
ethyl 4-[5-amino-2-(trifluoromethoxy)phenyl]-3,4-dihydroxybutanoate
CID 171898311
ethyl 2-[4-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134638973
ethyl 2-[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]acetate
CID 170999588
ethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998059
ethyl 2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate
CID 134632922
ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate
CID 170998065
ethyl 2-(5-amino-2-iodophenyl)acetate
CID 134638544
[5-amino-2-(trifluoromethoxy)phenyl]methanesulfinic acid
CID 174436022
ethyl 2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate
CID 134638969
ethyl 2-[2-formyl-3-(trifluoromethoxy)phenyl]acetate
CID 170998207
tert-butyl N-[[5-amino-2-(trifluoromethoxy)phenyl]methyl]-N-methylcarbamate
CID 59315399

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate (CID 134633504) is ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate is CCOC(=O)Cc1cc(N)ccc1OC(F)(F)F.
What is the InChIKey of ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate?
The InChIKey is LQPPNXOQTSRJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-2-17-10(16)6-7-5-8(15)3-4-9(7)18-11(12,13)14/h3-5H,2,6,15H2,1H3.
What are the key properties of ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate?
ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate has a molecular weight of 263.21 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-amino-2-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 134633504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).