ethyl 2-[2-(trifluoromethyl)anilino]propanoate

C12H14F3NO2 — CID 55031551

IUPACethyl 2-[2-(trifluoromethyl)anilino]propanoate
SMILESCCOC(=O)C(C)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-3-18-11(17)8(2)16-10-7-5-4-6-9(10)12(13,14)15/h4-8,16H,3H2,1-2H3
InChIKeyHUBNFUFVQCWFPI-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.07
Rot. Bonds4

About ethyl 2-[2-(trifluoromethyl)anilino]propanoate

ethyl 2-[2-(trifluoromethyl)anilino]propanoate (PubChem CID 55031551) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is ethyl 2-[2-(trifluoromethyl)anilino]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(trifluoromethyl)anilino]propanoate
PubChem CID55031551
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Nameethyl 2-[2-(trifluoromethyl)anilino]propanoate
SMILESCCOC(=O)C(C)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-3-18-11(17)8(2)16-10-7-5-4-6-9(10)12(13,14)15/h4-8,16H,3H2,1-2H3
InChIKeyHUBNFUFVQCWFPI-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-acetylanilino)propanoate
CID 67790607
ethyl 2-[3,4-bis(trifluoromethyl)anilino]propanoate
CID 86652692
N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide
CID 43088640
ethyl 2-[2-amino-4-(trifluoromethyl)anilino]propanoate
CID 61498205
ethyl 2-[4-bromo-3-(trifluoromethyl)anilino]propanoate
CID 64853962
ethyl 2-[2-(2-ethoxy-1-methylsulfanyl-2-oxoethyl)anilino]propanoate
CID 91740541
(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 52986036
ethyl 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]benzoate
CID 69454696
ethyl N-[1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)anilino]propan-2-yl]carbamate
CID 2264269
ethyl (E)-4,4,4-trifluoro-3-[2-(trifluoromethyl)anilino]but-2-enoate
CID 166437726
ethyl 2-(2-methylpropylamino)-2-[2-(trifluoromethyl)phenyl]acetate
CID 61001442
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(trifluoromethyl)anilino]propanoate?
The IUPAC name of ethyl 2-[2-(trifluoromethyl)anilino]propanoate (CID 55031551) is ethyl 2-[2-(trifluoromethyl)anilino]propanoate.
What is the SMILES notation for ethyl 2-[2-(trifluoromethyl)anilino]propanoate?
The canonical SMILES for ethyl 2-[2-(trifluoromethyl)anilino]propanoate is CCOC(=O)C(C)Nc1ccccc1C(F)(F)F.
What is the InChIKey of ethyl 2-[2-(trifluoromethyl)anilino]propanoate?
The InChIKey is HUBNFUFVQCWFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-3-18-11(17)8(2)16-10-7-5-4-6-9(10)12(13,14)15/h4-8,16H,3H2,1-2H3.
What are the key properties of ethyl 2-[2-(trifluoromethyl)anilino]propanoate?
ethyl 2-[2-(trifluoromethyl)anilino]propanoate has a molecular weight of 261.24 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(trifluoromethyl)anilino]propanoate is sourced from PubChem (CID 55031551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).