1-(2,4-difluorophenyl)-2-(5H-1$l^{4},2,4-triazol-1-yl)ethanone|1-(2,4-difluorophenyl)-2-(5H-1$l^{4},2,4-triazol-1-yl)ethan-1-one|2',4'-Difluoro-alpha-(1H-1,2,4-triazol-1-yl)acetophenone

General Information

Structure

Molecular Formula

C₁₀H₈F₂N₃O

Molecular Mass

224.1868264

Exact Mass

224.06354333

Charge

InChI

InChI=1S/C10H8F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5H,4,6H2

InChIKey

RLCQERDUOSGEGE-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(c(c1)F)C(=O)C[N]1=NC=NC1

Isomeric Smiles

O=C(c1ccc(cc1F)F)C[N]1=NC=NC1

Calculated Properties

JChem

H Acceptors

H Donor

Molar Refractivity

52.5976

Polar Surface Area

61.0

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

1-(2,4-difluorophenyl)-2-(5H-1$l^{4},2,4-triazol-1-yl)ethanone

IUPAC name

1-(2,4-difluorophenyl)-2-(5H-1$l^{4},2,4-triazol-1-yl)ethan-1-one

Synonyms

2',4'-Difluoro-alpha-(1H-1,2,4-triazol-1-yl)acetophenone

Names and Identifiers

Registration numbers

MDL Number

MFCD02093825

PubChem SID

162080892

PubChem CID

44717201

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• IUPAC Traditional name

• IUPAC name

• Synonyms

Registration numbers

• MDL Number

• PubChem SID

• PubChem CID

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:94237