[iodo(prop-2-enyl)boranyl]phosphane

C3H6BIP- — CID 58957384

IUPAC[iodo(prop-2-enyl)boranyl]phosphane
SMILESC=C[CH-]B(P)I
InChIInChI=1S/C3H6BIP/c1-2-3-4(5)6/h2-3H,1,6H2/q-1
InChIKeyBJBLBEGITRYXPF-UHFFFAOYSA-N
MW210.77 g/mol
LogP1.71
Rot. Bonds2

About [iodo(prop-2-enyl)boranyl]phosphane

[iodo(prop-2-enyl)boranyl]phosphane (PubChem CID 58957384) has the molecular formula C3H6BIP- and a molecular weight of 210.77 g/mol. Its IUPAC name is [iodo(prop-2-enyl)boranyl]phosphane.

Molecular Properties

Compound Name[iodo(prop-2-enyl)boranyl]phosphane
PubChem CID58957384
Molecular FormulaC3H6BIP-
Molecular Weight210.77 g/mol
Exact Mass210.94
IUPAC Name[iodo(prop-2-enyl)boranyl]phosphane
SMILESC=C[CH-]B(P)I
InChIInChI=1S/C3H6BIP/c1-2-3-4(5)6/h2-3H,1,6H2/q-1
InChIKeyBJBLBEGITRYXPF-UHFFFAOYSA-N
XLogP1.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.77
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [iodo(prop-2-enyl)boranyl]phosphane?
The IUPAC name of [iodo(prop-2-enyl)boranyl]phosphane (CID 58957384) is [iodo(prop-2-enyl)boranyl]phosphane.
What is the SMILES notation for [iodo(prop-2-enyl)boranyl]phosphane?
The canonical SMILES for [iodo(prop-2-enyl)boranyl]phosphane is C=C[CH-]B(P)I.
What is the InChIKey of [iodo(prop-2-enyl)boranyl]phosphane?
The InChIKey is BJBLBEGITRYXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BIP/c1-2-3-4(5)6/h2-3H,1,6H2/q-1.
What are the key properties of [iodo(prop-2-enyl)boranyl]phosphane?
[iodo(prop-2-enyl)boranyl]phosphane has a molecular weight of 210.77 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [iodo(prop-2-enyl)boranyl]phosphane is sourced from PubChem (CID 58957384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).