2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane

C8H15FN2O5Si — CID 88791528

IUPAC2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane
SMILESC[Si]1(CCC(F)([N+](=O)[O-])[N+](=O)[O-])CCCCO1
InChIInChI=1S/C8H15FN2O5Si/c1-17(6-3-2-5-16-17)7-4-8(9,10(12)13)11(14)15/h2-7H2,1H3
InChIKeyKAYTUOCPQXNSBE-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.94
Rot. Bonds5

About 2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane

2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane (PubChem CID 88791528) has the molecular formula C8H15FN2O5Si and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane.

Molecular Properties

Compound Name2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane
PubChem CID88791528
Molecular FormulaC8H15FN2O5Si
Molecular Weight266.30 g/mol
Exact Mass266.07
IUPAC Name2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane
SMILESC[Si]1(CCC(F)([N+](=O)[O-])[N+](=O)[O-])CCCCO1
InChIInChI=1S/C8H15FN2O5Si/c1-17(6-3-2-5-16-17)7-4-8(9,10(12)13)11(14)15/h2-7H2,1H3
InChIKeyKAYTUOCPQXNSBE-UHFFFAOYSA-N
XLogP1.94
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane?
The IUPAC name of 2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane (CID 88791528) is 2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane.
What is the SMILES notation for 2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane?
The canonical SMILES for 2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane is C[Si]1(CCC(F)([N+](=O)[O-])[N+](=O)[O-])CCCCO1.
What is the InChIKey of 2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane?
The InChIKey is KAYTUOCPQXNSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O5Si/c1-17(6-3-2-5-16-17)7-4-8(9,10(12)13)11(14)15/h2-7H2,1H3.
What are the key properties of 2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane?
2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane has a molecular weight of 266.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-3,3-dinitropropyl)-2-methyloxasilinane is sourced from PubChem (CID 88791528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).