2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline

C14H8F3N3O — CID 62715086

IUPAC2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1cc(-c2nc(-c3ccccc3F)no2)c(F)cc1F
InChIInChI=1S/C14H8F3N3O/c15-9-4-2-1-3-7(9)13-19-14(21-20-13)8-5-12(18)11(17)6-10(8)16/h1-6H,18H2
InChIKeySOCVCHYHPKAEOE-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.40
Rot. Bonds2

About 2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline

2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 62715086) has the molecular formula C14H8F3N3O and a molecular weight of 291.23 g/mol. Its IUPAC name is 2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID62715086
Molecular FormulaC14H8F3N3O
Molecular Weight291.23 g/mol
Exact Mass291.06
IUPAC Name2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1cc(-c2nc(-c3ccccc3F)no2)c(F)cc1F
InChIInChI=1S/C14H8F3N3O/c15-9-4-2-1-3-7(9)13-19-14(21-20-13)8-5-12(18)11(17)6-10(8)16/h1-6H,18H2
InChIKeySOCVCHYHPKAEOE-UHFFFAOYSA-N
XLogP3.40
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline (CID 62715086) is 2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline is Nc1cc(-c2nc(-c3ccccc3F)no2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is SOCVCHYHPKAEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O/c15-9-4-2-1-3-7(9)13-19-14(21-20-13)8-5-12(18)11(17)6-10(8)16/h1-6H,18H2.
What are the key properties of 2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 291.23 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 62715086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).