1,2,4,5-tetrafluoro-3,6-dinitrosobenzene

C6F4N2O2 — CID 166749882

IUPAC1,2,4,5-tetrafluoro-3,6-dinitrosobenzene
SMILESO=Nc1c(F)c(F)c(N=O)c(F)c1F
InChIInChI=1S/C6F4N2O2/c7-1-2(8)6(12-14)4(10)3(9)5(1)11-13
InChIKeyYEJAVXPKEIHBKX-UHFFFAOYSA-N
MW208.07 g/mol
LogP3.04
Rot. Bonds2

About 1,2,4,5-tetrafluoro-3,6-dinitrosobenzene

1,2,4,5-tetrafluoro-3,6-dinitrosobenzene (PubChem CID 166749882) has the molecular formula C6F4N2O2 and a molecular weight of 208.07 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3,6-dinitrosobenzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3,6-dinitrosobenzene
PubChem CID166749882
Molecular FormulaC6F4N2O2
Molecular Weight208.07 g/mol
Exact Mass207.99
IUPAC Name1,2,4,5-tetrafluoro-3,6-dinitrosobenzene
SMILESO=Nc1c(F)c(F)c(N=O)c(F)c1F
InChIInChI=1S/C6F4N2O2/c7-1-2(8)6(12-14)4(10)3(9)5(1)11-13
InChIKeyYEJAVXPKEIHBKX-UHFFFAOYSA-N
XLogP3.04
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3,6-dinitrosobenzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3,6-dinitrosobenzene (CID 166749882) is 1,2,4,5-tetrafluoro-3,6-dinitrosobenzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3,6-dinitrosobenzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3,6-dinitrosobenzene is O=Nc1c(F)c(F)c(N=O)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3,6-dinitrosobenzene?
The InChIKey is YEJAVXPKEIHBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F4N2O2/c7-1-2(8)6(12-14)4(10)3(9)5(1)11-13.
What are the key properties of 1,2,4,5-tetrafluoro-3,6-dinitrosobenzene?
1,2,4,5-tetrafluoro-3,6-dinitrosobenzene has a molecular weight of 208.07 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3,6-dinitrosobenzene is sourced from PubChem (CID 166749882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).