5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine

C6H8FN5O10 — CID 175487013

IUPAC5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine
SMILESNO.NO.O=[N+]([O-])c1c(O)c([N+](=O)[O-])c(F)c([N+](=O)[O-])c1O
InChIInChI=1S/C6H2FN3O8.2H3NO/c7-1-2(8(13)14)5(11)4(10(17)18)6(12)3(1)9(15)16;2*1-2/h11-12H;2*2H,1H2
InChIKeyHCTPYNIRLVSMMM-UHFFFAOYSA-N
MW329.15 g/mol
LogP-0.37
Rot. Bonds3

About 5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine

5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine (PubChem CID 175487013) has the molecular formula C6H8FN5O10 and a molecular weight of 329.15 g/mol. Its IUPAC name is 5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine.

Molecular Properties

Compound Name5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine
PubChem CID175487013
Molecular FormulaC6H8FN5O10
Molecular Weight329.15 g/mol
Exact Mass329.03
IUPAC Name5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine
SMILESNO.NO.O=[N+]([O-])c1c(O)c([N+](=O)[O-])c(F)c([N+](=O)[O-])c1O
InChIInChI=1S/C6H2FN3O8.2H3NO/c7-1-2(8(13)14)5(11)4(10(17)18)6(12)3(1)9(15)16;2*1-2/h11-12H;2*2H,1H2
InChIKeyHCTPYNIRLVSMMM-UHFFFAOYSA-N
XLogP-0.37
TPSA262.38 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500329.15
LogP ≤ 5-0.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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 5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine?
The IUPAC name of 5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine (CID 175487013) is 5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine.
What is the SMILES notation for 5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine?
The canonical SMILES for 5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine is NO.NO.O=[N+]([O-])c1c(O)c([N+](=O)[O-])c(F)c([N+](=O)[O-])c1O.
What is the InChIKey of 5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine?
The InChIKey is HCTPYNIRLVSMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2FN3O8.2H3NO/c7-1-2(8(13)14)5(11)4(10(17)18)6(12)3(1)9(15)16;2*1-2/h11-12H;2*2H,1H2.
What are the key properties of 5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine?
5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine has a molecular weight of 329.15 g/mol, XLogP of -0.37, 3 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4,6-trinitrobenzene-1,3-diol;hydroxylamine is sourced from PubChem (CID 175487013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).