[iodo(propyl)boranyl]phosphinous acid

C3H9BIOP — CID 88554297

IUPAC[iodo(propyl)boranyl]phosphinous acid
SMILESCCCB(I)PO
InChIInChI=1S/C3H9BIOP/c1-2-3-4(5)7-6/h6-7H,2-3H2,1H3
InChIKeyIYTHXUMDGCEGPX-UHFFFAOYSA-N
MW229.79 g/mol
LogP1.91
Rot. Bonds3

About [iodo(propyl)boranyl]phosphinous acid

[iodo(propyl)boranyl]phosphinous acid (PubChem CID 88554297) has the molecular formula C3H9BIOP and a molecular weight of 229.79 g/mol. Its IUPAC name is [iodo(propyl)boranyl]phosphinous acid.

Molecular Properties

Compound Name[iodo(propyl)boranyl]phosphinous acid
PubChem CID88554297
Molecular FormulaC3H9BIOP
Molecular Weight229.79 g/mol
Exact Mass229.95
IUPAC Name[iodo(propyl)boranyl]phosphinous acid
SMILESCCCB(I)PO
InChIInChI=1S/C3H9BIOP/c1-2-3-4(5)7-6/h6-7H,2-3H2,1H3
InChIKeyIYTHXUMDGCEGPX-UHFFFAOYSA-N
XLogP1.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

propane;triiodoborane
CID 90847751
methyl(dipropyl)borane
CID 534926
methyl-[methyl(propyl)boranyl]phosphane
CID 89355838
dimethyl(propyl)borane;methane
CID 161304479
diethyl(propyl)borane
CID 535107
dodecylphosphinous acid
CID 22292110
CID 172807183
CID 172807183
CID 173079153
CID 173079153
CID 6327572
CID 6327572
1,1-diiodopropan-1-ol
CID 54306694
azane;3-ethylhexan-3-ol;hydrochloride
CID 175147879
butane;methane;molecular iodine
CID 158060894

Frequently Asked Questions

What is the IUPAC name of [iodo(propyl)boranyl]phosphinous acid?
The IUPAC name of [iodo(propyl)boranyl]phosphinous acid (CID 88554297) is [iodo(propyl)boranyl]phosphinous acid.
What is the SMILES notation for [iodo(propyl)boranyl]phosphinous acid?
The canonical SMILES for [iodo(propyl)boranyl]phosphinous acid is CCCB(I)PO.
What is the InChIKey of [iodo(propyl)boranyl]phosphinous acid?
The InChIKey is IYTHXUMDGCEGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9BIOP/c1-2-3-4(5)7-6/h6-7H,2-3H2,1H3.
What are the key properties of [iodo(propyl)boranyl]phosphinous acid?
[iodo(propyl)boranyl]phosphinous acid has a molecular weight of 229.79 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [iodo(propyl)boranyl]phosphinous acid is sourced from PubChem (CID 88554297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).