4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline

C21H27FN2O3 — CID 73202298

IUPAC4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=Cc2ccc(OCCOCCOCCF)nc2)cc1
InChIInChI=1S/C21H27FN2O3/c1-24(2)20-8-5-18(6-9-20)3-4-19-7-10-21(23-17-19)27-16-15-26-14-13-25-12-11-22/h3-10,17H,11-16H2,1-2H3
InChIKeyGMDQCFOLABWPEJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.70
Rot. Bonds12

About 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline

4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline (PubChem CID 73202298) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline
PubChem CID73202298
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC Name4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C=Cc2ccc(OCCOCCOCCF)nc2)cc1
InChIInChI=1S/C21H27FN2O3/c1-24(2)20-8-5-18(6-9-20)3-4-19-7-10-21(23-17-19)27-16-15-26-14-13-25-12-11-22/h3-10,17H,11-16H2,1-2H3
InChIKeyGMDQCFOLABWPEJ-UHFFFAOYSA-N
XLogP3.70
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline (CID 73202298) is 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(C=Cc2ccc(OCCOCCOCCF)nc2)cc1.
What is the InChIKey of 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline?
The InChIKey is GMDQCFOLABWPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-24(2)20-8-5-18(6-9-20)3-4-19-7-10-21(23-17-19)27-16-15-26-14-13-25-12-11-22/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline?
4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline has a molecular weight of 374.46 g/mol, XLogP of 3.70, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 73202298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).