ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole

C15H24FN3O3 — CID 143224235

IUPACethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole
SMILESCC.CCCn1nc(C)c2ccc([N+](=O)[O-])cc21.CCOF
InChIInChI=1S/C11H13N3O2.C2H5FO.C2H6/c1-3-6-13-11-7-9(14(15)16)4-5-10(11)8(2)12-13;1-2-4-3;1-2/h4-5,7H,3,6H2,1-2H3;2H2,1H3;1-2H3
InChIKeyVGLSXXZBJRAFQP-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.60
Rot. Bonds4

About ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole

ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole (PubChem CID 143224235) has the molecular formula C15H24FN3O3 and a molecular weight of 313.37 g/mol. Its IUPAC name is ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole.

Molecular Properties

Compound Nameethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole
PubChem CID143224235
Molecular FormulaC15H24FN3O3
Molecular Weight313.37 g/mol
Exact Mass313.18
IUPAC Nameethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole
SMILESCC.CCCn1nc(C)c2ccc([N+](=O)[O-])cc21.CCOF
InChIInChI=1S/C11H13N3O2.C2H5FO.C2H6/c1-3-6-13-11-7-9(14(15)16)4-5-10(11)8(2)12-13;1-2-4-3;1-2/h4-5,7H,3,6H2,1-2H3;2H2,1H3;1-2H3
InChIKeyVGLSXXZBJRAFQP-UHFFFAOYSA-N
XLogP4.60
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole?
The IUPAC name of ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole (CID 143224235) is ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole.
What is the SMILES notation for ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole?
The canonical SMILES for ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole is CC.CCCn1nc(C)c2ccc([N+](=O)[O-])cc21.CCOF.
What is the InChIKey of ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole?
The InChIKey is VGLSXXZBJRAFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.C2H5FO.C2H6/c1-3-6-13-11-7-9(14(15)16)4-5-10(11)8(2)12-13;1-2-4-3;1-2/h4-5,7H,3,6H2,1-2H3;2H2,1H3;1-2H3.
What are the key properties of ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole?
ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole has a molecular weight of 313.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole is sourced from PubChem (CID 143224235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).