1-(2,2-difluoroethoxy)-2-iodocyclopentane

C7H11F2IO — CID 114774721

IUPAC1-(2,2-difluoroethoxy)-2-iodocyclopentane
SMILESFC(F)COC1CCCC1I
InChIInChI=1S/C7H11F2IO/c8-7(9)4-11-6-3-1-2-5(6)10/h5-7H,1-4H2
InChIKeyYAQUMVCUMXSTCA-UHFFFAOYSA-N
MW276.06 g/mol
LogP2.62
Rot. Bonds3

About 1-(2,2-difluoroethoxy)-2-iodocyclopentane

1-(2,2-difluoroethoxy)-2-iodocyclopentane (PubChem CID 114774721) has the molecular formula C7H11F2IO and a molecular weight of 276.06 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-2-iodocyclopentane.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-2-iodocyclopentane
PubChem CID114774721
Molecular FormulaC7H11F2IO
Molecular Weight276.06 g/mol
Exact Mass275.98
IUPAC Name1-(2,2-difluoroethoxy)-2-iodocyclopentane
SMILESFC(F)COC1CCCC1I
InChIInChI=1S/C7H11F2IO/c8-7(9)4-11-6-3-1-2-5(6)10/h5-7H,1-4H2
InChIKeyYAQUMVCUMXSTCA-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.06
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,2-difluoroethoxy)-2-iodocyclopentane?
The IUPAC name of 1-(2,2-difluoroethoxy)-2-iodocyclopentane (CID 114774721) is 1-(2,2-difluoroethoxy)-2-iodocyclopentane.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-2-iodocyclopentane?
The canonical SMILES for 1-(2,2-difluoroethoxy)-2-iodocyclopentane is FC(F)COC1CCCC1I.
What is the InChIKey of 1-(2,2-difluoroethoxy)-2-iodocyclopentane?
The InChIKey is YAQUMVCUMXSTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2IO/c8-7(9)4-11-6-3-1-2-5(6)10/h5-7H,1-4H2.
What are the key properties of 1-(2,2-difluoroethoxy)-2-iodocyclopentane?
1-(2,2-difluoroethoxy)-2-iodocyclopentane has a molecular weight of 276.06 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-2-iodocyclopentane is sourced from PubChem (CID 114774721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).