4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole

C15H18F3N3O — CID 112717101

IUPAC4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole
SMILESCCOc1ccc(C(F)(F)F)cc1CCc1cn(CC)nn1
InChIInChI=1S/C15H18F3N3O/c1-3-21-10-13(19-20-21)7-5-11-9-12(15(16,17)18)6-8-14(11)22-4-2/h6,8-10H,3-5,7H2,1-2H3
InChIKeyUIZUTERIHGNTHR-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.50
Rot. Bonds6

About 4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole

4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole (PubChem CID 112717101) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is 4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole.

Molecular Properties

Compound Name4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole
PubChem CID112717101
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole
SMILESCCOc1ccc(C(F)(F)F)cc1CCc1cn(CC)nn1
InChIInChI=1S/C15H18F3N3O/c1-3-21-10-13(19-20-21)7-5-11-9-12(15(16,17)18)6-8-14(11)22-4-2/h6,8-10H,3-5,7H2,1-2H3
InChIKeyUIZUTERIHGNTHR-UHFFFAOYSA-N
XLogP3.50
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene
CID 83921215
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole
CID 112718137
4-[2-ethoxy-5-(trifluoromethyl)phenyl]butane-1,2-diol
CID 83921247
4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole
CID 112718830
4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole
CID 112719733
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole
CID 112719041
6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine
CID 83921161
2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol
CID 112717284
1-bromo-3-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-2-one
CID 134616279
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole?
The IUPAC name of 4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole (CID 112717101) is 4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole.
What is the SMILES notation for 4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole?
The canonical SMILES for 4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole is CCOc1ccc(C(F)(F)F)cc1CCc1cn(CC)nn1.
What is the InChIKey of 4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole?
The InChIKey is UIZUTERIHGNTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-3-21-10-13(19-20-21)7-5-11-9-12(15(16,17)18)6-8-14(11)22-4-2/h6,8-10H,3-5,7H2,1-2H3.
What are the key properties of 4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole?
4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole has a molecular weight of 313.32 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole is sourced from PubChem (CID 112717101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).