1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone

C10H8FN3O — CID 117167849

IUPAC1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone
SMILESCC(=O)c1n[nH]nc1-c1ccc(F)cc1
InChIInChI=1S/C10H8FN3O/c1-6(15)9-10(13-14-12-9)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13,14)
InChIKeyAOQZZSKVFYCELE-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.81
Rot. Bonds2

About 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone

1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone (PubChem CID 117167849) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone
PubChem CID117167849
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone
SMILESCC(=O)c1n[nH]nc1-c1ccc(F)cc1
InChIInChI=1S/C10H8FN3O/c1-6(15)9-10(13-14-12-9)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13,14)
InChIKeyAOQZZSKVFYCELE-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-chloro-5-fluorophenyl)-2H-triazol-4-yl]ethanone
CID 82372901
1-[5-(3-amino-4-methoxyphenyl)-2H-triazol-4-yl]ethanone
CID 96599167
5-(4-fluorophenyl)-N-(4-methyl-3-pyridinyl)-2H-triazole-4-carboxamide
CID 175651324
5-(4-chlorophenyl)-2H-triazole-4-carboxylic acid
CID 82372862
1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone
CID 82372895
1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 63525974
1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanol
CID 117167840
5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
CID 169402046
(4-benzhydrylpiperazin-1-yl)-[5-(4-fluorophenyl)-2H-triazol-4-yl]methanone
CID 131701861
5-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxylic acid
CID 83648852
5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
CID 169403054
ethyl 5-(3,4-difluorophenyl)-2H-triazole-4-carboxylate
CID 169399055

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone?
The IUPAC name of 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone (CID 117167849) is 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone is CC(=O)c1n[nH]nc1-c1ccc(F)cc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone?
The InChIKey is AOQZZSKVFYCELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c1-6(15)9-10(13-14-12-9)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13,14).
What are the key properties of 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone?
1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone has a molecular weight of 205.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone is sourced from PubChem (CID 117167849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).