1,1-diiodo-2-propan-2-ylindene

C12H12I2 — CID 174700664

IUPAC1,1-diiodo-2-propan-2-ylindene
SMILESCC(C)C1=Cc2ccccc2C1(I)I
InChIInChI=1S/C12H12I2/c1-8(2)11-7-9-5-3-4-6-10(9)12(11,13)14/h3-8H,1-2H3
InChIKeyAJPICILTZRXBDU-UHFFFAOYSA-N
MW410.04 g/mol
LogP4.76
Rot. Bonds1

About 1,1-diiodo-2-propan-2-ylindene

1,1-diiodo-2-propan-2-ylindene (PubChem CID 174700664) has the molecular formula C12H12I2 and a molecular weight of 410.04 g/mol. Its IUPAC name is 1,1-diiodo-2-propan-2-ylindene.

Molecular Properties

Compound Name1,1-diiodo-2-propan-2-ylindene
PubChem CID174700664
Molecular FormulaC12H12I2
Molecular Weight410.04 g/mol
Exact Mass409.90
IUPAC Name1,1-diiodo-2-propan-2-ylindene
SMILESCC(C)C1=Cc2ccccc2C1(I)I
InChIInChI=1S/C12H12I2/c1-8(2)11-7-9-5-3-4-6-10(9)12(11,13)14/h3-8H,1-2H3
InChIKeyAJPICILTZRXBDU-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.04
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(1S)-1-iodo-1-methyl-2H-naphthalene
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1,2-dimethyl-1-(4-methylphenyl)indene
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Frequently Asked Questions

What is the IUPAC name of 1,1-diiodo-2-propan-2-ylindene?
The IUPAC name of 1,1-diiodo-2-propan-2-ylindene (CID 174700664) is 1,1-diiodo-2-propan-2-ylindene.
What is the SMILES notation for 1,1-diiodo-2-propan-2-ylindene?
The canonical SMILES for 1,1-diiodo-2-propan-2-ylindene is CC(C)C1=Cc2ccccc2C1(I)I.
What is the InChIKey of 1,1-diiodo-2-propan-2-ylindene?
The InChIKey is AJPICILTZRXBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12I2/c1-8(2)11-7-9-5-3-4-6-10(9)12(11,13)14/h3-8H,1-2H3.
What are the key properties of 1,1-diiodo-2-propan-2-ylindene?
1,1-diiodo-2-propan-2-ylindene has a molecular weight of 410.04 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diiodo-2-propan-2-ylindene is sourced from PubChem (CID 174700664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).