methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate

C12H14F3NO3 — CID 66174109

IUPACmethyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate
SMILESCOC(=O)C(C)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-8(11(17)18-2)16-9-5-3-4-6-10(9)19-7-12(13,14)15/h3-6,8,16H,7H2,1-2H3
InChIKeyQEPRTJSGEDVOGG-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.60
Rot. Bonds5

About methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate

methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate (PubChem CID 66174109) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate
PubChem CID66174109
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Namemethyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate
SMILESCOC(=O)C(C)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-8(11(17)18-2)16-9-5-3-4-6-10(9)19-7-12(13,14)15/h3-6,8,16H,7H2,1-2H3
InChIKeyQEPRTJSGEDVOGG-UHFFFAOYSA-N
XLogP2.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112685720
N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689164
N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689182
3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 119700402
ethyl 2-[2-(trifluoromethyl)anilino]propanoate
CID 55031551
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689188
2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 104652406
(2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119315205
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
N-carbamoyl-2-[2-(trifluoromethoxy)anilino]propanamide
CID 43089308
2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 60848771

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate?
The IUPAC name of methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate (CID 66174109) is methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate.
What is the SMILES notation for methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate?
The canonical SMILES for methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate is COC(=O)C(C)Nc1ccccc1OCC(F)(F)F.
What is the InChIKey of methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate?
The InChIKey is QEPRTJSGEDVOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-8(11(17)18-2)16-9-5-3-4-6-10(9)19-7-12(13,14)15/h3-6,8,16H,7H2,1-2H3.
What are the key properties of methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate?
methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate has a molecular weight of 277.24 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate is sourced from PubChem (CID 66174109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).