[amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium

C8H8F4N4+2 — CID 6347331

IUPAC[amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium
SMILESNC(=[NH2+])c1c(F)c(F)c(C(N)=[NH2+])c(F)c1F
InChIInChI=1S/C8H6F4N4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H3,13,14)(H3,15,16)/p+2
InChIKeyKMUBDCOLCJILAB-UHFFFAOYSA-P
MW236.17 g/mol
LogP-2.83
Rot. Bonds2

About [amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium

[amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium (PubChem CID 6347331) has the molecular formula C8H8F4N4+2 and a molecular weight of 236.17 g/mol. Its IUPAC name is [amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium
PubChem CID6347331
Molecular FormulaC8H8F4N4+2
Molecular Weight236.17 g/mol
Exact Mass236.07
IUPAC Name[amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium
SMILESNC(=[NH2+])c1c(F)c(F)c(C(N)=[NH2+])c(F)c1F
InChIInChI=1S/C8H6F4N4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H3,13,14)(H3,15,16)/p+2
InChIKeyKMUBDCOLCJILAB-UHFFFAOYSA-P
XLogP-2.83
TPSA103.22 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 5-2.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium?
The IUPAC name of [amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium (CID 6347331) is [amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium.
What is the SMILES notation for [amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium?
The canonical SMILES for [amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium is NC(=[NH2+])c1c(F)c(F)c(C(N)=[NH2+])c(F)c1F.
What is the InChIKey of [amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium?
The InChIKey is KMUBDCOLCJILAB-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H6F4N4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H3,13,14)(H3,15,16)/p+2.
What are the key properties of [amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium?
[amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium has a molecular weight of 236.17 g/mol, XLogP of -2.83, 2 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[4-[amino(azaniumylidene)methyl]-2,3,5,6-tetrafluorophenyl]methylidene]azanium is sourced from PubChem (CID 6347331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).