methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate

C11H11F4NO2 — CID 63036312

IUPACmethyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
SMILESCOC(=O)C(C)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C11H11F4NO2/c1-6(10(17)18-2)16-9-5-7(11(13,14)15)3-4-8(9)12/h3-6,16H,1-2H3
InChIKeyKTKZONWBVJUTDJ-UHFFFAOYSA-N
MW265.21 g/mol
LogP2.82
Rot. Bonds3

About methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate

methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate (PubChem CID 63036312) has the molecular formula C11H11F4NO2 and a molecular weight of 265.21 g/mol. Its IUPAC name is methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
PubChem CID63036312
Molecular FormulaC11H11F4NO2
Molecular Weight265.21 g/mol
Exact Mass265.07
IUPAC Namemethyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
SMILESCOC(=O)C(C)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C11H11F4NO2/c1-6(10(17)18-2)16-9-5-7(11(13,14)15)3-4-8(9)12/h3-6,16H,1-2H3
InChIKeyKTKZONWBVJUTDJ-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 114242293
2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide
CID 77032131
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide
CID 63037185
methyl 2-[2-cyano-4-(trifluoromethyl)anilino]propanoate
CID 61497788
2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 55144774
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037220
tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate
CID 103389891
methyl 2-[2-fluoro-4-(trifluoromethyl)anilino]-3-hydroxypropanoate
CID 107303971
N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462426
methyl 2-[4-methoxy-2-(trifluoromethyl)anilino]propanoate
CID 66173707

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate?
The IUPAC name of methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate (CID 63036312) is methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate.
What is the SMILES notation for methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate?
The canonical SMILES for methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate is COC(=O)C(C)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate?
The InChIKey is KTKZONWBVJUTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2/c1-6(10(17)18-2)16-9-5-7(11(13,14)15)3-4-8(9)12/h3-6,16H,1-2H3.
What are the key properties of methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate?
methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate has a molecular weight of 265.21 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate is sourced from PubChem (CID 63036312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).