3-(1,1-diiodoethyl)-1,1-difluorocyclopentane

C7H10F2I2 — CID 135224732

IUPAC3-(1,1-diiodoethyl)-1,1-difluorocyclopentane
SMILESCC(I)(I)C1CCC(F)(F)C1
InChIInChI=1S/C7H10F2I2/c1-6(10,11)5-2-3-7(8,9)4-5/h5H,2-4H2,1H3
InChIKeyVEGFZXMUOSMBHR-UHFFFAOYSA-N
MW385.96 g/mol
LogP4.01
Rot. Bonds1

About 3-(1,1-diiodoethyl)-1,1-difluorocyclopentane

3-(1,1-diiodoethyl)-1,1-difluorocyclopentane (PubChem CID 135224732) has the molecular formula C7H10F2I2 and a molecular weight of 385.96 g/mol. Its IUPAC name is 3-(1,1-diiodoethyl)-1,1-difluorocyclopentane.

Molecular Properties

Compound Name3-(1,1-diiodoethyl)-1,1-difluorocyclopentane
PubChem CID135224732
Molecular FormulaC7H10F2I2
Molecular Weight385.96 g/mol
Exact Mass385.88
IUPAC Name3-(1,1-diiodoethyl)-1,1-difluorocyclopentane
SMILESCC(I)(I)C1CCC(F)(F)C1
InChIInChI=1S/C7H10F2I2/c1-6(10,11)5-2-3-7(8,9)4-5/h5H,2-4H2,1H3
InChIKeyVEGFZXMUOSMBHR-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.96
LogP ≤ 54.01
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 3-(1,1-diiodoethyl)-1,1-difluorocyclopentane?
The IUPAC name of 3-(1,1-diiodoethyl)-1,1-difluorocyclopentane (CID 135224732) is 3-(1,1-diiodoethyl)-1,1-difluorocyclopentane.
What is the SMILES notation for 3-(1,1-diiodoethyl)-1,1-difluorocyclopentane?
The canonical SMILES for 3-(1,1-diiodoethyl)-1,1-difluorocyclopentane is CC(I)(I)C1CCC(F)(F)C1.
What is the InChIKey of 3-(1,1-diiodoethyl)-1,1-difluorocyclopentane?
The InChIKey is VEGFZXMUOSMBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2I2/c1-6(10,11)5-2-3-7(8,9)4-5/h5H,2-4H2,1H3.
What are the key properties of 3-(1,1-diiodoethyl)-1,1-difluorocyclopentane?
3-(1,1-diiodoethyl)-1,1-difluorocyclopentane has a molecular weight of 385.96 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-diiodoethyl)-1,1-difluorocyclopentane is sourced from PubChem (CID 135224732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).