4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline

C18H19FN4O — CID 16736456

IUPAC4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cn(-c3ccc(OCCF)cc3)nn2)cc1
InChIInChI=1S/C18H19FN4O/c1-22(2)15-5-3-14(4-6-15)18-13-23(21-20-18)16-7-9-17(10-8-16)24-12-11-19/h3-10,13H,11-12H2,1-2H3
InChIKeyOTUFTOHPDXJRJS-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.35
Rot. Bonds6

About 4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline

4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline (PubChem CID 16736456) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
PubChem CID16736456
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cn(-c3ccc(OCCF)cc3)nn2)cc1
InChIInChI=1S/C18H19FN4O/c1-22(2)15-5-3-14(4-6-15)18-13-23(21-20-18)16-7-9-17(10-8-16)24-12-11-19/h3-10,13H,11-12H2,1-2H3
InChIKeyOTUFTOHPDXJRJS-UHFFFAOYSA-N
XLogP3.35
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline (CID 16736456) is 4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cn(-c3ccc(OCCF)cc3)nn2)cc1.
What is the InChIKey of 4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline?
The InChIKey is OTUFTOHPDXJRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-22(2)15-5-3-14(4-6-15)18-13-23(21-20-18)16-7-9-17(10-8-16)24-12-11-19/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline?
4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline has a molecular weight of 326.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline is sourced from PubChem (CID 16736456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).