difluoro-(4-fluoro-4,4-dinitrobutyl)silane

C4H7F3N2O4Si — CID 173445428

IUPACdifluoro-(4-fluoro-4,4-dinitrobutyl)silane
SMILESO=[N+]([O-])C(F)(CCC[SiH](F)F)[N+](=O)[O-]
InChIInChI=1S/C4H7F3N2O4Si/c5-4(8(10)11,9(12)13)2-1-3-14(6)7/h14H,1-3H2
InChIKeyCDUHMYJYYBINTB-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.10
Rot. Bonds6

About difluoro-(4-fluoro-4,4-dinitrobutyl)silane

difluoro-(4-fluoro-4,4-dinitrobutyl)silane (PubChem CID 173445428) has the molecular formula C4H7F3N2O4Si and a molecular weight of 232.19 g/mol. Its IUPAC name is difluoro-(4-fluoro-4,4-dinitrobutyl)silane.

Molecular Properties

Compound Namedifluoro-(4-fluoro-4,4-dinitrobutyl)silane
PubChem CID173445428
Molecular FormulaC4H7F3N2O4Si
Molecular Weight232.19 g/mol
Exact Mass232.01
IUPAC Namedifluoro-(4-fluoro-4,4-dinitrobutyl)silane
SMILESO=[N+]([O-])C(F)(CCC[SiH](F)F)[N+](=O)[O-]
InChIInChI=1S/C4H7F3N2O4Si/c5-4(8(10)11,9(12)13)2-1-3-14(6)7/h14H,1-3H2
InChIKeyCDUHMYJYYBINTB-UHFFFAOYSA-N
XLogP1.10
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(difluoroamino)-5-fluoro-5,5-dinitropentyl] 2,2,2-trifluoroacetate
CID 88847905
2-[chloro-bis(2-fluoro-2,2-dinitroethoxy)methoxy]-1-fluoro-1,1-dinitroethane
CID 14047294
2-(chloromethoxy)-1-fluoro-1,1-dinitroethane
CID 12507561
N-(2,2-dinitropropyl)-3-fluoro-3,3-dinitropropan-1-amine
CID 134883319
N-(2-fluoro-2,2-dinitroethyl)-N-[3-[(2-fluoro-2,2-dinitroethyl)-nitroamino]propyl]nitramide
CID 86200191
1-(2-fluoro-2,2-dinitroethoxy)-2,2-dinitropropane
CID 119097098
N-(3-fluoro-3,3-dinitropropyl)-2,2-dinitrobutan-1-amine
CID 134883336
(1,1,2,2-tetrafluoro-2-nitroethyl) hypofluorite
CID 23233313
1-(2-fluoro-2,2-dinitroethoxy)propan-2-one
CID 119096859
2,2-bis(3-fluoro-3,3-dinitropropyl)oxasilinane
CID 23342722
(2-fluoro-2,2-dinitroethoxy)-methoxymethanethione
CID 15148562
1,2-dichloro-1,1,2-trifluoro-2-nitroethane
CID 23278501

Frequently Asked Questions

What is the IUPAC name of difluoro-(4-fluoro-4,4-dinitrobutyl)silane?
The IUPAC name of difluoro-(4-fluoro-4,4-dinitrobutyl)silane (CID 173445428) is difluoro-(4-fluoro-4,4-dinitrobutyl)silane.
What is the SMILES notation for difluoro-(4-fluoro-4,4-dinitrobutyl)silane?
The canonical SMILES for difluoro-(4-fluoro-4,4-dinitrobutyl)silane is O=[N+]([O-])C(F)(CCC[SiH](F)F)[N+](=O)[O-].
What is the InChIKey of difluoro-(4-fluoro-4,4-dinitrobutyl)silane?
The InChIKey is CDUHMYJYYBINTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2O4Si/c5-4(8(10)11,9(12)13)2-1-3-14(6)7/h14H,1-3H2.
What are the key properties of difluoro-(4-fluoro-4,4-dinitrobutyl)silane?
difluoro-(4-fluoro-4,4-dinitrobutyl)silane has a molecular weight of 232.19 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(4-fluoro-4,4-dinitrobutyl)silane is sourced from PubChem (CID 173445428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).