ethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate

C13H14F3NO2 — CID 154253887

IUPACethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate
SMILESCCOC(=O)C1(C(F)(F)F)CCc2ccccc2N1
InChIInChI=1S/C13H14F3NO2/c1-2-19-11(18)12(13(14,15)16)8-7-9-5-3-4-6-10(9)17-12/h3-6,17H,2,7-8H2,1H3
InChIKeyYICUNKQGVRNALP-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.91
Rot. Bonds2

About ethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate

ethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate (PubChem CID 154253887) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is ethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate
PubChem CID154253887
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Nameethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate
SMILESCCOC(=O)C1(C(F)(F)F)CCc2ccccc2N1
InChIInChI=1S/C13H14F3NO2/c1-2-19-11(18)12(13(14,15)16)8-7-9-5-3-4-6-10(9)17-12/h3-6,17H,2,7-8H2,1H3
InChIKeyYICUNKQGVRNALP-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 4-oxo-2,2-bis(trifluoromethyl)-1H-quinazoline-3-carboxylate
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ethyl 2-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-1,3-dihydroindole-2-carboxylate
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ethyl 1-(trifluoromethylsulfonylcarbamoyl)-3,4-dihydro-2H-naphthalene-1-carboxylate
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(2-methyl-3,4-dihydro-1H-quinolin-2-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate?
The IUPAC name of ethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate (CID 154253887) is ethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate.
What is the SMILES notation for ethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate?
The canonical SMILES for ethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate is CCOC(=O)C1(C(F)(F)F)CCc2ccccc2N1.
What is the InChIKey of ethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate?
The InChIKey is YICUNKQGVRNALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-2-19-11(18)12(13(14,15)16)8-7-9-5-3-4-6-10(9)17-12/h3-6,17H,2,7-8H2,1H3.
What are the key properties of ethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate?
ethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate has a molecular weight of 273.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylate is sourced from PubChem (CID 154253887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).