4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline

C14H17FN4 — CID 56949927

IUPAC4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2cn(CCF)nn2)cc1
InChIInChI=1S/C14H17FN4/c1-18(2)14-7-4-12(5-8-14)3-6-13-11-19(10-9-15)17-16-13/h3-8,11H,9-10H2,1-2H3/b6-3+
InChIKeyUZDWIFHSEAUJKX-ZZXKWVIFSA-N
MW260.32 g/mol
LogP2.48
Rot. Bonds5

About 4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline

4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline (PubChem CID 56949927) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline
PubChem CID56949927
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2cn(CCF)nn2)cc1
InChIInChI=1S/C14H17FN4/c1-18(2)14-7-4-12(5-8-14)3-6-13-11-19(10-9-15)17-16-13/h3-8,11H,9-10H2,1-2H3/b6-3+
InChIKeyUZDWIFHSEAUJKX-ZZXKWVIFSA-N
XLogP2.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline (CID 56949927) is 4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2cn(CCF)nn2)cc1.
What is the InChIKey of 4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline?
The InChIKey is UZDWIFHSEAUJKX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H17FN4/c1-18(2)14-7-4-12(5-8-14)3-6-13-11-19(10-9-15)17-16-13/h3-8,11H,9-10H2,1-2H3/b6-3+.
What are the key properties of 4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline?
4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline has a molecular weight of 260.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 56949927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).