2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine

C7H13I2NO2 — CID 175908064

IUPAC2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CC[C@@H]1COC(I)(I)O1
InChIInChI=1S/C7H13I2NO2/c1-10(2)4-3-6-5-11-7(8,9)12-6/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyPCQDLHRTIGKTGN-ZCFIWIBFSA-N
MW396.99 g/mol
LogP1.83
Rot. Bonds3

About 2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine

2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine (PubChem CID 175908064) has the molecular formula C7H13I2NO2 and a molecular weight of 396.99 g/mol. Its IUPAC name is 2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine
PubChem CID175908064
Molecular FormulaC7H13I2NO2
Molecular Weight396.99 g/mol
Exact Mass396.90
IUPAC Name2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CC[C@@H]1COC(I)(I)O1
InChIInChI=1S/C7H13I2NO2/c1-10(2)4-3-6-5-11-7(8,9)12-6/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyPCQDLHRTIGKTGN-ZCFIWIBFSA-N
XLogP1.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.99
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine (CID 175908064) is 2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine is CN(C)CC[C@@H]1COC(I)(I)O1.
What is the InChIKey of 2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine?
The InChIKey is PCQDLHRTIGKTGN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13I2NO2/c1-10(2)4-3-6-5-11-7(8,9)12-6/h6H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of 2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine?
2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine has a molecular weight of 396.99 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 175908064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).