1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone

C10H8FN3O — CID 10420476

IUPAC1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)c1ccc(F)cc1
InChIInChI=1S/C10H8FN3O/c11-9-3-1-8(2-4-9)10(15)5-14-7-12-6-13-14/h1-4,6-7H,5H2
InChIKeyIKOAKIRZMHXFFT-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.30
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone

1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 10420476) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID10420476
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)c1ccc(F)cc1
InChIInChI=1S/C10H8FN3O/c11-9-3-1-8(2-4-9)10(15)5-14-7-12-6-13-14/h1-4,6-7H,5H2
InChIKeyIKOAKIRZMHXFFT-UHFFFAOYSA-N
XLogP1.30
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone
CID 588080
2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone
CID 5298758
1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
CID 716472
1-(2-Bromophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
CID 914824
1-phenyl-2-(1H-1,2,4-triazol-1-yl)ethanone
CID 2764809
4-phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
CID 25141500
2-(tert-butylsulfanyl)-1-(4-methylphenyl)-2-(1H-1,2,4-triazol-1-yl)-1-ethanone
CID 3835458
1-p-Tolyl-2-[1,2,4]triazol-1-yl-ethanone
CID 16682208
Ethanone, 1-[1,1'-biphenyl]-4-yl-2-(1H-1,2,4-triazol-1-yl)-
CID 13603196
1-(5,6,7,8-Tetrahydronaphthalen-2-yl)-2-(1,2,4-triazol-1-yl)ethanone
CID 58580481
2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethanone
CID 683551
2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-phenylethanone
CID 942005

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone (CID 10420476) is 1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is IKOAKIRZMHXFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-9-3-1-8(2-4-9)10(15)5-14-7-12-6-13-14/h1-4,6-7H,5H2.
What are the key properties of 1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone?
1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 205.19 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 10420476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).