1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone

C8H4F4N2O — CID 57027229

IUPAC1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone
SMILES[H]/N=C/C(=O)c1c(F)c(F)c(N)c(F)c1F
InChIInChI=1S/C8H4F4N2O/c9-4-3(2(15)1-13)5(10)7(12)8(14)6(4)11/h1,13H,14H2/b13-1+
InChIKeyRYKWNLUDCRTTFS-HSIUAXRUSA-N
MW220.12 g/mol
LogP1.66
Rot. Bonds2

About 1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone

1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone (PubChem CID 57027229) has the molecular formula C8H4F4N2O and a molecular weight of 220.12 g/mol. Its IUPAC name is 1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone.

Molecular Properties

Compound Name1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone
PubChem CID57027229
Molecular FormulaC8H4F4N2O
Molecular Weight220.12 g/mol
Exact Mass220.03
IUPAC Name1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone
SMILES[H]/N=C/C(=O)c1c(F)c(F)c(N)c(F)c1F
InChIInChI=1S/C8H4F4N2O/c9-4-3(2(15)1-13)5(10)7(12)8(14)6(4)11/h1,13H,14H2/b13-1+
InChIKeyRYKWNLUDCRTTFS-HSIUAXRUSA-N
XLogP1.66
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone?
The IUPAC name of 1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone (CID 57027229) is 1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone.
What is the SMILES notation for 1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone?
The canonical SMILES for 1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone is [H]/N=C/C(=O)c1c(F)c(F)c(N)c(F)c1F.
What is the InChIKey of 1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone?
The InChIKey is RYKWNLUDCRTTFS-HSIUAXRUSA-N. The full InChI is InChI=1S/C8H4F4N2O/c9-4-3(2(15)1-13)5(10)7(12)8(14)6(4)11/h1,13H,14H2/b13-1+.
What are the key properties of 1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone?
1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone has a molecular weight of 220.12 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,3,5,6-tetrafluorophenyl)-2-iminoethanone is sourced from PubChem (CID 57027229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).