ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate

C11H11ClF3NO2 — CID 28950851

IUPACethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate
SMILESCCOC(=O)CNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H11ClF3NO2/c1-2-18-9(17)6-16-10-7(11(13,14)15)4-3-5-8(10)12/h3-5,16H,2,6H2,1H3
InChIKeyGGIIDRKLCASIGN-UHFFFAOYSA-N
MW281.66 g/mol
LogP3.33
Rot. Bonds4

About ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate

ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate (PubChem CID 28950851) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate
PubChem CID28950851
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Nameethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate
SMILESCCOC(=O)CNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H11ClF3NO2/c1-2-18-9(17)6-16-10-7(11(13,14)15)4-3-5-8(10)12/h3-5,16H,2,6H2,1H3
InChIKeyGGIIDRKLCASIGN-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-chloro-6-methylanilino)acetate
CID 66252153
methyl 3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropanoate
CID 79629134
ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]butanoate
CID 64668147
ethyl 2-(2-chloro-6-nitroanilino)acetate
CID 62083715
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
3-[2-chloro-6-(trifluoromethyl)anilino]propanamide
CID 43152515
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948
3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414844
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915268
2-chloro-N-(2,2-diethoxyethyl)-6-(trifluoromethyl)aniline
CID 81094009
1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol
CID 63931718
tert-butyl N-[3-[2-chloro-6-(trifluoromethyl)anilino]propyl]carbamate
CID 103821664

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate?
The IUPAC name of ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate (CID 28950851) is ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate.
What is the SMILES notation for ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate?
The canonical SMILES for ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate is CCOC(=O)CNc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate?
The InChIKey is GGIIDRKLCASIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c1-2-18-9(17)6-16-10-7(11(13,14)15)4-3-5-8(10)12/h3-5,16H,2,6H2,1H3.
What are the key properties of ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate?
ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate has a molecular weight of 281.66 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate is sourced from PubChem (CID 28950851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).