difluoro-[3-(hydroxyamino)propoxymethylidene]boranuide

C4H9BF2NO2- — CID 140702551

IUPACdifluoro-[3-(hydroxyamino)propoxymethylidene]boranuide
SMILESONCCCOC=[B-](F)F
InChIInChI=1S/C4H9BF2NO2/c6-5(7)4-10-3-1-2-8-9/h4,8-9H,1-3H2/q-1
InChIKeyDVLXWYRMWCWKNL-UHFFFAOYSA-N
MW151.93 g/mol
LogP0.14
Rot. Bonds5

About difluoro-[3-(hydroxyamino)propoxymethylidene]boranuide

difluoro-[3-(hydroxyamino)propoxymethylidene]boranuide (PubChem CID 140702551) has the molecular formula C4H9BF2NO2- and a molecular weight of 151.93 g/mol. Its IUPAC name is difluoro-[3-(hydroxyamino)propoxymethylidene]boranuide.

Molecular Properties

Compound Namedifluoro-[3-(hydroxyamino)propoxymethylidene]boranuide
PubChem CID140702551
Molecular FormulaC4H9BF2NO2-
Molecular Weight151.93 g/mol
Exact Mass152.07
IUPAC Namedifluoro-[3-(hydroxyamino)propoxymethylidene]boranuide
SMILESONCCCOC=[B-](F)F
InChIInChI=1S/C4H9BF2NO2/c6-5(7)4-10-3-1-2-8-9/h4,8-9H,1-3H2/q-1
InChIKeyDVLXWYRMWCWKNL-UHFFFAOYSA-N
XLogP0.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.93
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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 difluoro-[3-(hydroxyamino)propoxymethylidene]boranuide?
The IUPAC name of difluoro-[3-(hydroxyamino)propoxymethylidene]boranuide (CID 140702551) is difluoro-[3-(hydroxyamino)propoxymethylidene]boranuide.
What is the SMILES notation for difluoro-[3-(hydroxyamino)propoxymethylidene]boranuide?
The canonical SMILES for difluoro-[3-(hydroxyamino)propoxymethylidene]boranuide is ONCCCOC=[B-](F)F.
What is the InChIKey of difluoro-[3-(hydroxyamino)propoxymethylidene]boranuide?
The InChIKey is DVLXWYRMWCWKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BF2NO2/c6-5(7)4-10-3-1-2-8-9/h4,8-9H,1-3H2/q-1.
What are the key properties of difluoro-[3-(hydroxyamino)propoxymethylidene]boranuide?
difluoro-[3-(hydroxyamino)propoxymethylidene]boranuide has a molecular weight of 151.93 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-[3-(hydroxyamino)propoxymethylidene]boranuide is sourced from PubChem (CID 140702551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).