4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline

C16H16FN — CID 51349576

IUPAC4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C16H16FN/c1-18(2)16-10-8-13(9-11-16)6-7-14-4-3-5-15(17)12-14/h3-12H,1-2H3/b7-6+
InChIKeyMPGSRZTYXKFHBY-VOTSOKGWSA-N
MW241.31 g/mol
LogP4.06
Rot. Bonds3

About 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline (PubChem CID 51349576) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline
PubChem CID51349576
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C16H16FN/c1-18(2)16-10-8-13(9-11-16)6-7-14-4-3-5-15(17)12-14/h3-12H,1-2H3/b7-6+
InChIKeyMPGSRZTYXKFHBY-VOTSOKGWSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline (CID 51349576) is 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2cccc(F)c2)cc1.
What is the InChIKey of 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline?
The InChIKey is MPGSRZTYXKFHBY-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H16FN/c1-18(2)16-10-8-13(9-11-16)6-7-14-4-3-5-15(17)12-14/h3-12H,1-2H3/b7-6+.
What are the key properties of 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline has a molecular weight of 241.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-fluorophenyl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 51349576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).