1-(difluoromethyl)-3-iodocyclopentane

C6H9F2I — CID 67486303

IUPAC1-(difluoromethyl)-3-iodocyclopentane
SMILESFC(F)C1CCC(I)C1
InChIInChI=1S/C6H9F2I/c7-6(8)4-1-2-5(9)3-4/h4-6H,1-3H2
InChIKeyLSGPJRRAKNGLKZ-UHFFFAOYSA-N
MW246.04 g/mol
LogP2.86
Rot. Bonds1

About 1-(difluoromethyl)-3-iodocyclopentane

1-(difluoromethyl)-3-iodocyclopentane (PubChem CID 67486303) has the molecular formula C6H9F2I and a molecular weight of 246.04 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-iodocyclopentane.

Molecular Properties

Compound Name1-(difluoromethyl)-3-iodocyclopentane
PubChem CID67486303
Molecular FormulaC6H9F2I
Molecular Weight246.04 g/mol
Exact Mass245.97
IUPAC Name1-(difluoromethyl)-3-iodocyclopentane
SMILESFC(F)C1CCC(I)C1
InChIInChI=1S/C6H9F2I/c7-6(8)4-1-2-5(9)3-4/h4-6H,1-3H2
InChIKeyLSGPJRRAKNGLKZ-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.04
LogP ≤ 52.86
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-(difluoromethyl)-3-iodocyclopentane?
The IUPAC name of 1-(difluoromethyl)-3-iodocyclopentane (CID 67486303) is 1-(difluoromethyl)-3-iodocyclopentane.
What is the SMILES notation for 1-(difluoromethyl)-3-iodocyclopentane?
The canonical SMILES for 1-(difluoromethyl)-3-iodocyclopentane is FC(F)C1CCC(I)C1.
What is the InChIKey of 1-(difluoromethyl)-3-iodocyclopentane?
The InChIKey is LSGPJRRAKNGLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2I/c7-6(8)4-1-2-5(9)3-4/h4-6H,1-3H2.
What are the key properties of 1-(difluoromethyl)-3-iodocyclopentane?
1-(difluoromethyl)-3-iodocyclopentane has a molecular weight of 246.04 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-iodocyclopentane is sourced from PubChem (CID 67486303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).