methyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate

C11H7F3O3 — CID 166067686

IUPACmethyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)c2ccoc12
InChIInChI=1S/C11H7F3O3/c1-16-10(15)7-2-3-8(11(12,13)14)6-4-5-17-9(6)7/h2-5H,1H3
InChIKeyQJRVVZGQUOKZDF-UHFFFAOYSA-N
MW244.17 g/mol
LogP3.24
Rot. Bonds1

About methyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate

methyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate (PubChem CID 166067686) has the molecular formula C11H7F3O3 and a molecular weight of 244.17 g/mol. Its IUPAC name is methyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate
PubChem CID166067686
Molecular FormulaC11H7F3O3
Molecular Weight244.17 g/mol
Exact Mass244.03
IUPAC Namemethyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)c2ccoc12
InChIInChI=1S/C11H7F3O3/c1-16-10(15)7-2-3-8(11(12,13)14)6-4-5-17-9(6)7/h2-5H,1H3
InChIKeyQJRVVZGQUOKZDF-UHFFFAOYSA-N
XLogP3.24
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate?
The IUPAC name of methyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate (CID 166067686) is methyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate.
What is the SMILES notation for methyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate?
The canonical SMILES for methyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate is COC(=O)c1ccc(C(F)(F)F)c2ccoc12.
What is the InChIKey of methyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate?
The InChIKey is QJRVVZGQUOKZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O3/c1-16-10(15)7-2-3-8(11(12,13)14)6-4-5-17-9(6)7/h2-5H,1H3.
What are the key properties of methyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate?
methyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate has a molecular weight of 244.17 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(trifluoromethyl)-1-benzofuran-7-carboxylate is sourced from PubChem (CID 166067686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).