[5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite

C12H8F3NO — CID 142606268

IUPAC[5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite
SMILESNc1ccc(-c2ccc(F)c(F)c2)c(OF)c1
InChIInChI=1S/C12H8F3NO/c13-10-4-1-7(5-11(10)14)9-3-2-8(16)6-12(9)17-15/h1-6H,16H2
InChIKeyZJSSXAALOFOSQU-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.48
Rot. Bonds2

About [5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite

[5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite (PubChem CID 142606268) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is [5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite.

Molecular Properties

Compound Name[5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite
PubChem CID142606268
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name[5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite
SMILESNc1ccc(-c2ccc(F)c(F)c2)c(OF)c1
InChIInChI=1S/C12H8F3NO/c13-10-4-1-7(5-11(10)14)9-3-2-8(16)6-12(9)17-15/h1-6H,16H2
InChIKeyZJSSXAALOFOSQU-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite?
The IUPAC name of [5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite (CID 142606268) is [5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite.
What is the SMILES notation for [5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite?
The canonical SMILES for [5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite is Nc1ccc(-c2ccc(F)c(F)c2)c(OF)c1.
What is the InChIKey of [5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite?
The InChIKey is ZJSSXAALOFOSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-10-4-1-7(5-11(10)14)9-3-2-8(16)6-12(9)17-15/h1-6H,16H2.
What are the key properties of [5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite?
[5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite has a molecular weight of 239.20 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(3,4-difluorophenyl)phenyl] hypofluorite is sourced from PubChem (CID 142606268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).