4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline

C12H11F3N4 — CID 123426833

IUPAC4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline
SMILESNc1ccc(NNc2ccc(N)c(F)c2F)c(F)c1
InChIInChI=1S/C12H11F3N4/c13-7-5-6(16)1-3-9(7)18-19-10-4-2-8(17)11(14)12(10)15/h1-5,18-19H,16-17H2
InChIKeyHXKCGMIDYHYAIS-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.71
Rot. Bonds3

About 4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline

4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline (PubChem CID 123426833) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline.

Molecular Properties

Compound Name4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline
PubChem CID123426833
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline
SMILESNc1ccc(NNc2ccc(N)c(F)c2F)c(F)c1
InChIInChI=1S/C12H11F3N4/c13-7-5-6(16)1-3-9(7)18-19-10-4-2-8(17)11(14)12(10)15/h1-5,18-19H,16-17H2
InChIKeyHXKCGMIDYHYAIS-UHFFFAOYSA-N
XLogP2.71
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline?
The IUPAC name of 4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline (CID 123426833) is 4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline.
What is the SMILES notation for 4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline?
The canonical SMILES for 4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline is Nc1ccc(NNc2ccc(N)c(F)c2F)c(F)c1.
What is the InChIKey of 4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline?
The InChIKey is HXKCGMIDYHYAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-7-5-6(16)1-3-9(7)18-19-10-4-2-8(17)11(14)12(10)15/h1-5,18-19H,16-17H2.
What are the key properties of 4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline?
4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline has a molecular weight of 268.24 g/mol, XLogP of 2.71, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-2-fluorophenyl)hydrazinyl]-2,3-difluoroaniline is sourced from PubChem (CID 123426833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).