1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine

C15H5F10N5 — CID 54753083

IUPAC1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine
SMILESN/C(=N\N=C\c1c(F)c(F)c(F)c(F)c1F)N/N=C/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H5F10N5/c16-5-3(6(17)10(21)13(24)9(5)20)1-27-29-15(26)30-28-2-4-7(18)11(22)14(25)12(23)8(4)19/h1-2H,(H3,26,29,30)/b27-1+,28-2+
InChIKeyIYKOGDZQIAXXAH-WGJLRJTESA-N
MW445.22 g/mol
LogP3.35
Rot. Bonds4

About 1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine

1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine (PubChem CID 54753083) has the molecular formula C15H5F10N5 and a molecular weight of 445.22 g/mol. Its IUPAC name is 1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine
PubChem CID54753083
Molecular FormulaC15H5F10N5
Molecular Weight445.22 g/mol
Exact Mass445.04
IUPAC Name1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine
SMILESN/C(=N\N=C\c1c(F)c(F)c(F)c(F)c1F)N/N=C/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H5F10N5/c16-5-3(6(17)10(21)13(24)9(5)20)1-27-29-15(26)30-28-2-4-7(18)11(22)14(25)12(23)8(4)19/h1-2H,(H3,26,29,30)/b27-1+,28-2+
InChIKeyIYKOGDZQIAXXAH-WGJLRJTESA-N
XLogP3.35
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.22
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine (CID 54753083) is 1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine is N/C(=N\N=C\c1c(F)c(F)c(F)c(F)c1F)N/N=C/c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine?
The InChIKey is IYKOGDZQIAXXAH-WGJLRJTESA-N. The full InChI is InChI=1S/C15H5F10N5/c16-5-3(6(17)10(21)13(24)9(5)20)1-27-29-15(26)30-28-2-4-7(18)11(22)14(25)12(23)8(4)19/h1-2H,(H3,26,29,30)/b27-1+,28-2+.
What are the key properties of 1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine?
1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine has a molecular weight of 445.22 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]guanidine is sourced from PubChem (CID 54753083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).