ethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate

C13H11F3O3 — CID 118389886

IUPACethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate
SMILESCCOC(=O)C1=CCOc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C13H11F3O3/c1-2-18-12(17)9-5-6-19-11-4-3-8(7-10(9)11)13(14,15)16/h3-5,7H,2,6H2,1H3
InChIKeyONLRLUTXKGEVTG-UHFFFAOYSA-N
MW272.22 g/mol
LogP3.04
Rot. Bonds2

About ethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate

ethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate (PubChem CID 118389886) has the molecular formula C13H11F3O3 and a molecular weight of 272.22 g/mol. Its IUPAC name is ethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate
PubChem CID118389886
Molecular FormulaC13H11F3O3
Molecular Weight272.22 g/mol
Exact Mass272.07
IUPAC Nameethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate
SMILESCCOC(=O)C1=CCOc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C13H11F3O3/c1-2-18-12(17)9-5-6-19-11-4-3-8(7-10(9)11)13(14,15)16/h3-5,7H,2,6H2,1H3
InChIKeyONLRLUTXKGEVTG-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 5-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate
CID 102309661
ethyl 6-tert-butyl-3-hydroxy-2H-chromene-4-carboxylate
CID 102340868
ethyl 4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoate
CID 118033133
ethyl 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]benzoate
CID 119013664
ethyl 7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylate
CID 171990149
ethyl 2-bromo-5-(trifluoromethyl)benzoate
CID 46311281
ethyl 6-(trifluoromethyl)-1-benzofuran-2-carboxylate
CID 90154398
ethyl 1,1-dioxo-5-(trifluoromethyl)-1,2-benzothiazole-3-carboxylate
CID 154719310
ethyl 2-(dibromomethyl)-4-(trifluoromethyl)benzoate
CID 69434080
ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
CID 126483070
ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate
CID 22934575
ethyl 2-fluoro-5-[4-(trifluoromethyl)phenyl]benzoate
CID 134628237

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate?
The IUPAC name of ethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate (CID 118389886) is ethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate.
What is the SMILES notation for ethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate?
The canonical SMILES for ethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate is CCOC(=O)C1=CCOc2ccc(C(F)(F)F)cc21.
What is the InChIKey of ethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate?
The InChIKey is ONLRLUTXKGEVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O3/c1-2-18-12(17)9-5-6-19-11-4-3-8(7-10(9)11)13(14,15)16/h3-5,7H,2,6H2,1H3.
What are the key properties of ethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate?
ethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate has a molecular weight of 272.22 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate is sourced from PubChem (CID 118389886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).