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

C16H15F2N — CID 51349716

IUPAC2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1/C=C/c1c(F)cccc1F
InChIInChI=1S/C16H15F2N/c1-19(2)16-9-4-3-6-12(16)10-11-13-14(17)7-5-8-15(13)18/h3-11H,1-2H3/b11-10+
InChIKeyQXTVXQHHDGICCP-ZHACJKMWSA-N
MW259.30 g/mol
LogP4.20
Rot. Bonds3

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

2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline (PubChem CID 51349716) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline
PubChem CID51349716
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1/C=C/c1c(F)cccc1F
InChIInChI=1S/C16H15F2N/c1-19(2)16-9-4-3-6-12(16)10-11-13-14(17)7-5-8-15(13)18/h3-11H,1-2H3/b11-10+
InChIKeyQXTVXQHHDGICCP-ZHACJKMWSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
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 2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline (CID 51349716) is 2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccccc1/C=C/c1c(F)cccc1F.
What is the InChIKey of 2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline?
The InChIKey is QXTVXQHHDGICCP-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H15F2N/c1-19(2)16-9-4-3-6-12(16)10-11-13-14(17)7-5-8-15(13)18/h3-11H,1-2H3/b11-10+.
What are the key properties of 2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline?
2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline has a molecular weight of 259.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 51349716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).