ethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate

C11H11F4NO2 — CID 115350925

IUPACethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)C(N)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F4NO2/c1-2-18-10(17)9(16)6-3-7(11(13,14)15)5-8(12)4-6/h3-5,9H,2,16H2,1H3
InChIKeyUGDAQVFMOFMZRJ-UHFFFAOYSA-N
MW265.21 g/mol
LogP2.41
Rot. Bonds3

About ethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate

ethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate (PubChem CID 115350925) has the molecular formula C11H11F4NO2 and a molecular weight of 265.21 g/mol. Its IUPAC name is ethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate
PubChem CID115350925
Molecular FormulaC11H11F4NO2
Molecular Weight265.21 g/mol
Exact Mass265.07
IUPAC Nameethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)C(N)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F4NO2/c1-2-18-10(17)9(16)6-3-7(11(13,14)15)5-8(12)4-6/h3-5,9H,2,16H2,1H3
InChIKeyUGDAQVFMOFMZRJ-UHFFFAOYSA-N
XLogP2.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-2-[3,5-bis(trifluoromethyl)phenyl]acetate
CID 79015790
ethyl 2-(ethylamino)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate
CID 115350918
ethyl 3-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoate
CID 115351279
ethyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-fluoroacetate
CID 134832982
(1S,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171268942
(3S)-3-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoic acid
CID 79015931
ethyl 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-oxobutanoate
CID 67404141
4-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]hexanoic acid
CID 115351345
1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 18543066
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294441
4-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]pentanoic acid
CID 113292119

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate (CID 115350925) is ethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate is CCOC(=O)C(N)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of ethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate?
The InChIKey is UGDAQVFMOFMZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2/c1-2-18-10(17)9(16)6-3-7(11(13,14)15)5-8(12)4-6/h3-5,9H,2,16H2,1H3.
What are the key properties of ethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate?
ethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate has a molecular weight of 265.21 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 115350925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).