4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline

C23H26FNO4 — CID 75048273

IUPAC4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline
SMILESCNc1ccc(C=Cc2cc3cc(OCCOCCOCCF)ccc3o2)cc1
InChIInChI=1S/C23H26FNO4/c1-25-20-5-2-18(3-6-20)4-7-22-17-19-16-21(8-9-23(19)29-22)28-15-14-27-13-12-26-11-10-24/h2-9,16-17,25H,10-15H2,1H3
InChIKeyINBUFHFKSATZRK-UHFFFAOYSA-N
MW399.46 g/mol
LogP5.03
Rot. Bonds12

About 4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline

4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline (PubChem CID 75048273) has the molecular formula C23H26FNO4 and a molecular weight of 399.46 g/mol. Its IUPAC name is 4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline
PubChem CID75048273
Molecular FormulaC23H26FNO4
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline
SMILESCNc1ccc(C=Cc2cc3cc(OCCOCCOCCF)ccc3o2)cc1
InChIInChI=1S/C23H26FNO4/c1-25-20-5-2-18(3-6-20)4-7-22-17-19-16-21(8-9-23(19)29-22)28-15-14-27-13-12-26-11-10-24/h2-9,16-17,25H,10-15H2,1H3
InChIKeyINBUFHFKSATZRK-UHFFFAOYSA-N
XLogP5.03
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline?
The IUPAC name of 4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline (CID 75048273) is 4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline?
The canonical SMILES for 4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline is CNc1ccc(C=Cc2cc3cc(OCCOCCOCCF)ccc3o2)cc1.
What is the InChIKey of 4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline?
The InChIKey is INBUFHFKSATZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO4/c1-25-20-5-2-18(3-6-20)4-7-22-17-19-16-21(8-9-23(19)29-22)28-15-14-27-13-12-26-11-10-24/h2-9,16-17,25H,10-15H2,1H3.
What are the key properties of 4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline?
4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline has a molecular weight of 399.46 g/mol, XLogP of 5.03, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline is sourced from PubChem (CID 75048273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).