difluoro-[3-(hydroxyamino)propoxymethyl]boranuide

C4H11BF2NO2- — CID 157422737

IUPACdifluoro-[3-(hydroxyamino)propoxymethyl]boranuide
SMILESONCCCOC[BH-](F)F
InChIInChI=1S/C4H11BF2NO2/c6-5(7)4-10-3-1-2-8-9/h5,8-9H,1-4H2/q-1
InChIKeyBPPFPNQHBIAFBK-UHFFFAOYSA-N
MW153.94 g/mol
LogP0.07
Rot. Bonds6

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

difluoro-[3-(hydroxyamino)propoxymethyl]boranuide (PubChem CID 157422737) has the molecular formula C4H11BF2NO2- and a molecular weight of 153.94 g/mol. Its IUPAC name is difluoro-[3-(hydroxyamino)propoxymethyl]boranuide.

Molecular Properties

Compound Namedifluoro-[3-(hydroxyamino)propoxymethyl]boranuide
PubChem CID157422737
Molecular FormulaC4H11BF2NO2-
Molecular Weight153.94 g/mol
Exact Mass154.09
IUPAC Namedifluoro-[3-(hydroxyamino)propoxymethyl]boranuide
SMILESONCCCOC[BH-](F)F
InChIInChI=1S/C4H11BF2NO2/c6-5(7)4-10-3-1-2-8-9/h5,8-9H,1-4H2/q-1
InChIKeyBPPFPNQHBIAFBK-UHFFFAOYSA-N
XLogP0.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.94
LogP ≤ 50.07
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)propoxymethyl]boranuide?
The IUPAC name of difluoro-[3-(hydroxyamino)propoxymethyl]boranuide (CID 157422737) is difluoro-[3-(hydroxyamino)propoxymethyl]boranuide.
What is the SMILES notation for difluoro-[3-(hydroxyamino)propoxymethyl]boranuide?
The canonical SMILES for difluoro-[3-(hydroxyamino)propoxymethyl]boranuide is ONCCCOC[BH-](F)F.
What is the InChIKey of difluoro-[3-(hydroxyamino)propoxymethyl]boranuide?
The InChIKey is BPPFPNQHBIAFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11BF2NO2/c6-5(7)4-10-3-1-2-8-9/h5,8-9H,1-4H2/q-1.
What are the key properties of difluoro-[3-(hydroxyamino)propoxymethyl]boranuide?
difluoro-[3-(hydroxyamino)propoxymethyl]boranuide has a molecular weight of 153.94 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-[3-(hydroxyamino)propoxymethyl]boranuide is sourced from PubChem (CID 157422737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).