CID 174071882

C3H8BIN — CID 174071882

IUPAC—
SMILESCC(C)(N)[B]I
InChIInChI=1S/C3H8BIN/c1-3(2,6)4-5/h6H2,1-2H3
InChIKeyCHTOJGITOYIPFP-UHFFFAOYSA-N
MW195.82 g/mol
LogP0.74
Rot. Bonds1

About CID 174071882

CID 174071882 (PubChem CID 174071882) has the molecular formula C3H8BIN and a molecular weight of 195.82 g/mol.

Molecular Properties

Compound NameCID 174071882
PubChem CID174071882
Molecular FormulaC3H8BIN
Molecular Weight195.82 g/mol
Exact Mass195.98
IUPAC Name—
SMILESCC(C)(N)[B]I
InChIInChI=1S/C3H8BIN/c1-3(2,6)4-5/h6H2,1-2H3
InChIKeyCHTOJGITOYIPFP-UHFFFAOYSA-N
XLogP0.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.82
LogP ≤ 50.74
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 174071882?
The IUPAC name of CID 174071882 (CID 174071882) is not available.
What is the SMILES notation for CID 174071882?
The canonical SMILES for CID 174071882 is CC(C)(N)[B]I.
What is the InChIKey of CID 174071882?
The InChIKey is CHTOJGITOYIPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8BIN/c1-3(2,6)4-5/h6H2,1-2H3.
What are the key properties of CID 174071882?
CID 174071882 has a molecular weight of 195.82 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174071882 is sourced from PubChem (CID 174071882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).