4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole

C14H12FN3O — CID 168527298

IUPAC4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole
SMILESCCc1cn(-c2ccc(-c3ccco3)c(F)c2)nn1
InChIInChI=1S/C14H12FN3O/c1-2-10-9-18(17-16-10)11-5-6-12(13(15)8-11)14-4-3-7-19-14/h3-9H,2H2,1H3
InChIKeyLZMODGGIVYBNJA-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.23
Rot. Bonds3

About 4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole

4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole (PubChem CID 168527298) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole.

Molecular Properties

Compound Name4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole
PubChem CID168527298
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole
SMILESCCc1cn(-c2ccc(-c3ccco3)c(F)c2)nn1
InChIInChI=1S/C14H12FN3O/c1-2-10-9-18(17-16-10)11-5-6-12(13(15)8-11)14-4-3-7-19-14/h3-9H,2H2,1H3
InChIKeyLZMODGGIVYBNJA-UHFFFAOYSA-N
XLogP3.23
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-4-(furan-2-yl)phenyl]-4-methyltriazole
CID 168526998
4-ethyl-1-(3-fluorophenyl)triazole
CID 144663333
2-[4-(4-ethyltriazol-1-yl)-2-fluorophenyl]isoindole-1,3-dione
CID 168518560
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(4-ethyltriazol-1-yl)-2-fluoroaniline
CID 168582124
6-ethyl-4-(furan-2-yl)-2,3-dimethylpyridine
CID 608303
cyclohexane;1,1-dimethylcyclobutane;4-ethyl-1-(3-fluorophenyl)triazole;molecular hydrogen
CID 144663340
1-(4-bromo-3-fluorophenyl)-4-(bromomethyl)triazole
CID 65436233
1-[4-(furan-2-yl)-3-methoxyphenyl]tetrazole
CID 168525253
N-[[1-(3-fluoro-4-methoxyphenyl)triazol-4-yl]methyl]ethanamine
CID 66205066
2-[2-fluoro-4-(trifluoromethyl)phenyl]furan
CID 168524503
[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]methanamine
CID 82844757
2-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanamine
CID 116641612

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole?
The IUPAC name of 4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole (CID 168527298) is 4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole.
What is the SMILES notation for 4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole?
The canonical SMILES for 4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole is CCc1cn(-c2ccc(-c3ccco3)c(F)c2)nn1.
What is the InChIKey of 4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole?
The InChIKey is LZMODGGIVYBNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-2-10-9-18(17-16-10)11-5-6-12(13(15)8-11)14-4-3-7-19-14/h3-9H,2H2,1H3.
What are the key properties of 4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole?
4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole has a molecular weight of 257.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[3-fluoro-4-(furan-2-yl)phenyl]triazole is sourced from PubChem (CID 168527298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).