1,2-bis(iodomethyl)cyclopropane

C5H8I2 — CID 12695325

IUPAC1,2-bis(iodomethyl)cyclopropane
SMILESICC1CC1CI
InChIInChI=1S/C5H8I2/c6-2-4-1-5(4)3-7/h4-5H,1-3H2
InChIKeyMJEDFBZXMUITPO-UHFFFAOYSA-N
MW321.93 g/mol
LogP2.49
Rot. Bonds2

About 1,2-bis(iodomethyl)cyclopropane

1,2-bis(iodomethyl)cyclopropane (PubChem CID 12695325) has the molecular formula C5H8I2 and a molecular weight of 321.93 g/mol. Its IUPAC name is 1,2-bis(iodomethyl)cyclopropane.

Molecular Properties

Compound Name1,2-bis(iodomethyl)cyclopropane
PubChem CID12695325
Molecular FormulaC5H8I2
Molecular Weight321.93 g/mol
Exact Mass321.87
IUPAC Name1,2-bis(iodomethyl)cyclopropane
SMILESICC1CC1CI
InChIInChI=1S/C5H8I2/c6-2-4-1-5(4)3-7/h4-5H,1-3H2
InChIKeyMJEDFBZXMUITPO-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.93
LogP ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(iodomethyl)cyclopropane?
The IUPAC name of 1,2-bis(iodomethyl)cyclopropane (CID 12695325) is 1,2-bis(iodomethyl)cyclopropane.
What is the SMILES notation for 1,2-bis(iodomethyl)cyclopropane?
The canonical SMILES for 1,2-bis(iodomethyl)cyclopropane is ICC1CC1CI.
What is the InChIKey of 1,2-bis(iodomethyl)cyclopropane?
The InChIKey is MJEDFBZXMUITPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8I2/c6-2-4-1-5(4)3-7/h4-5H,1-3H2.
What are the key properties of 1,2-bis(iodomethyl)cyclopropane?
1,2-bis(iodomethyl)cyclopropane has a molecular weight of 321.93 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(iodomethyl)cyclopropane is sourced from PubChem (CID 12695325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).