trifluoro-[3-(hydroxyamino)propoxymethyl]boranuide

C4H10BF3NO2- — CID 140702545

IUPACtrifluoro-[3-(hydroxyamino)propoxymethyl]boranuide
SMILESONCCCOC[B-](F)(F)F
InChIInChI=1S/C4H10BF3NO2/c6-5(7,8)4-11-3-1-2-9-10/h9-10H,1-4H2/q-1
InChIKeyATBJFRDCPXZBHR-UHFFFAOYSA-N
MW171.93 g/mol
LogP0.76
Rot. Bonds6

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

trifluoro-[3-(hydroxyamino)propoxymethyl]boranuide (PubChem CID 140702545) has the molecular formula C4H10BF3NO2- and a molecular weight of 171.93 g/mol. Its IUPAC name is trifluoro-[3-(hydroxyamino)propoxymethyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-(hydroxyamino)propoxymethyl]boranuide
PubChem CID140702545
Molecular FormulaC4H10BF3NO2-
Molecular Weight171.93 g/mol
Exact Mass172.08
IUPAC Nametrifluoro-[3-(hydroxyamino)propoxymethyl]boranuide
SMILESONCCCOC[B-](F)(F)F
InChIInChI=1S/C4H10BF3NO2/c6-5(7,8)4-11-3-1-2-9-10/h9-10H,1-4H2/q-1
InChIKeyATBJFRDCPXZBHR-UHFFFAOYSA-N
XLogP0.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.93
LogP ≤ 50.76
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 trifluoro-[3-(hydroxyamino)propoxymethyl]boranuide?
The IUPAC name of trifluoro-[3-(hydroxyamino)propoxymethyl]boranuide (CID 140702545) is trifluoro-[3-(hydroxyamino)propoxymethyl]boranuide.
What is the SMILES notation for trifluoro-[3-(hydroxyamino)propoxymethyl]boranuide?
The canonical SMILES for trifluoro-[3-(hydroxyamino)propoxymethyl]boranuide is ONCCCOC[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-(hydroxyamino)propoxymethyl]boranuide?
The InChIKey is ATBJFRDCPXZBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BF3NO2/c6-5(7,8)4-11-3-1-2-9-10/h9-10H,1-4H2/q-1.
What are the key properties of trifluoro-[3-(hydroxyamino)propoxymethyl]boranuide?
trifluoro-[3-(hydroxyamino)propoxymethyl]boranuide has a molecular weight of 171.93 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-(hydroxyamino)propoxymethyl]boranuide is sourced from PubChem (CID 140702545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).