ethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate

C17H18F3NO3 — CID 54288303

IUPACethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cc3cc(C(F)(F)F)ccc3o2)CC1
InChIInChI=1S/C17H18F3NO3/c1-2-23-16(22)21-7-5-11(6-8-21)15-10-12-9-13(17(18,19)20)3-4-14(12)24-15/h3-4,9-11H,2,5-8H2,1H3
InChIKeyRVSFZIWNYYKKLJ-UHFFFAOYSA-N
MW341.33 g/mol
LogP4.79
Rot. Bonds2

About ethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate

ethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate (PubChem CID 54288303) has the molecular formula C17H18F3NO3 and a molecular weight of 341.33 g/mol. Its IUPAC name is ethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate
PubChem CID54288303
Molecular FormulaC17H18F3NO3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC Nameethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cc3cc(C(F)(F)F)ccc3o2)CC1
InChIInChI=1S/C17H18F3NO3/c1-2-23-16(22)21-7-5-11(6-8-21)15-10-12-9-13(17(18,19)20)3-4-14(12)24-15/h3-4,9-11H,2,5-8H2,1H3
InChIKeyRVSFZIWNYYKKLJ-UHFFFAOYSA-N
XLogP4.79
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate (CID 54288303) is ethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(c2cc3cc(C(F)(F)F)ccc3o2)CC1.
What is the InChIKey of ethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate?
The InChIKey is RVSFZIWNYYKKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3/c1-2-23-16(22)21-7-5-11(6-8-21)15-10-12-9-13(17(18,19)20)3-4-14(12)24-15/h3-4,9-11H,2,5-8H2,1H3.
What are the key properties of ethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate?
ethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate has a molecular weight of 341.33 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(trifluoromethyl)-1-benzofuran-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 54288303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).