1-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane

C5H4F4N4O10 — CID 54434580

IUPAC1-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane
SMILESO=[N+]([O-])C(CF)(OC(F)(F)OC(CF)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C5H4F4N4O10/c6-1-3(10(14)15,11(16)17)22-5(8,9)23-4(2-7,12(18)19)13(20)21/h1-2H2
InChIKeyWJVMYXIMJQBVIV-UHFFFAOYSA-N
MW356.10 g/mol
LogP-0.08
Rot. Bonds10

About 1-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane

1-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane (PubChem CID 54434580) has the molecular formula C5H4F4N4O10 and a molecular weight of 356.10 g/mol. Its IUPAC name is 1-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane.

Molecular Properties

Compound Name1-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane
PubChem CID54434580
Molecular FormulaC5H4F4N4O10
Molecular Weight356.10 g/mol
Exact Mass355.99
IUPAC Name1-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane
SMILESO=[N+]([O-])C(CF)(OC(F)(F)OC(CF)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C5H4F4N4O10/c6-1-3(10(14)15,11(16)17)22-5(8,9)23-4(2-7,12(18)19)13(20)21/h1-2H2
InChIKeyWJVMYXIMJQBVIV-UHFFFAOYSA-N
XLogP-0.08
TPSA191.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.10
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane?
The IUPAC name of 1-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane (CID 54434580) is 1-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane.
What is the SMILES notation for 1-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane?
The canonical SMILES for 1-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane is O=[N+]([O-])C(CF)(OC(F)(F)OC(CF)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of 1-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane?
The InChIKey is WJVMYXIMJQBVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4N4O10/c6-1-3(10(14)15,11(16)17)22-5(8,9)23-4(2-7,12(18)19)13(20)21/h1-2H2.
What are the key properties of 1-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane?
1-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane has a molecular weight of 356.10 g/mol, XLogP of -0.08, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(2-fluoro-1,1-dinitroethoxy)methoxy]-2-fluoro-1,1-dinitroethane is sourced from PubChem (CID 54434580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).