ethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate

C15H14F3NO4 — CID 56805587

IUPACethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate
SMILESCCOC(=O)CN(CC(F)(F)F)C(=O)c1coc2ccccc12
InChIInChI=1S/C15H14F3NO4/c1-2-22-13(20)7-19(9-15(16,17)18)14(21)11-8-23-12-6-4-3-5-10(11)12/h3-6,8H,2,7,9H2,1H3
InChIKeyBBTQRCKFLWVQKB-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.00
Rot. Bonds5

About ethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate

ethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate (PubChem CID 56805587) has the molecular formula C15H14F3NO4 and a molecular weight of 329.27 g/mol. Its IUPAC name is ethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate
PubChem CID56805587
Molecular FormulaC15H14F3NO4
Molecular Weight329.27 g/mol
Exact Mass329.09
IUPAC Nameethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate
SMILESCCOC(=O)CN(CC(F)(F)F)C(=O)c1coc2ccccc12
InChIInChI=1S/C15H14F3NO4/c1-2-22-13(20)7-19(9-15(16,17)18)14(21)11-8-23-12-6-4-3-5-10(11)12/h3-6,8H,2,7,9H2,1H3
InChIKeyBBTQRCKFLWVQKB-UHFFFAOYSA-N
XLogP3.00
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate?
The IUPAC name of ethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate (CID 56805587) is ethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate?
The canonical SMILES for ethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate is CCOC(=O)CN(CC(F)(F)F)C(=O)c1coc2ccccc12.
What is the InChIKey of ethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate?
The InChIKey is BBTQRCKFLWVQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4/c1-2-22-13(20)7-19(9-15(16,17)18)14(21)11-8-23-12-6-4-3-5-10(11)12/h3-6,8H,2,7,9H2,1H3.
What are the key properties of ethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate?
ethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate has a molecular weight of 329.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetate is sourced from PubChem (CID 56805587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).