4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline

C16H15F2N — CID 118707595

IUPAC4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline
SMILESCCNc1ccc(/C=C/c2c(F)cccc2F)cc1
InChIInChI=1S/C16H15F2N/c1-2-19-13-9-6-12(7-10-13)8-11-14-15(17)4-3-5-16(14)18/h3-11,19H,2H2,1H3/b11-8+
InChIKeyJYHUYKWMNGNMOO-DHZHZOJOSA-N
MW259.30 g/mol
LogP4.57
Rot. Bonds4

About 4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline

4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline (PubChem CID 118707595) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline
PubChem CID118707595
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline
SMILESCCNc1ccc(/C=C/c2c(F)cccc2F)cc1
InChIInChI=1S/C16H15F2N/c1-2-19-13-9-6-12(7-10-13)8-11-14-15(17)4-3-5-16(14)18/h3-11,19H,2H2,1H3/b11-8+
InChIKeyJYHUYKWMNGNMOO-DHZHZOJOSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline?
The IUPAC name of 4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline (CID 118707595) is 4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline.
What is the SMILES notation for 4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline?
The canonical SMILES for 4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline is CCNc1ccc(/C=C/c2c(F)cccc2F)cc1.
What is the InChIKey of 4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline?
The InChIKey is JYHUYKWMNGNMOO-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H15F2N/c1-2-19-13-9-6-12(7-10-13)8-11-14-15(17)4-3-5-16(14)18/h3-11,19H,2H2,1H3/b11-8+.
What are the key properties of 4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline?
4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline has a molecular weight of 259.30 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylaniline is sourced from PubChem (CID 118707595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).