(4R)-3,3-difluoro-4-iodocyclooctyne

C8H9F2I — CID 156533064

IUPAC(4R)-3,3-difluoro-4-iodocyclooctyne
SMILESFC1(F)C#CCCCC[C@H]1I
InChIInChI=1S/C8H9F2I/c9-8(10)6-4-2-1-3-5-7(8)11/h7H,1-3,5H2/t7-/m1/s1
InChIKeyVJNGZACRXUGEPX-SSDOTTSWSA-N
MW270.06 g/mol
LogP3.00
Rot. Bonds

About (4R)-3,3-difluoro-4-iodocyclooctyne

(4R)-3,3-difluoro-4-iodocyclooctyne (PubChem CID 156533064) has the molecular formula C8H9F2I and a molecular weight of 270.06 g/mol. Its IUPAC name is (4R)-3,3-difluoro-4-iodocyclooctyne.

Molecular Properties

Compound Name(4R)-3,3-difluoro-4-iodocyclooctyne
PubChem CID156533064
Molecular FormulaC8H9F2I
Molecular Weight270.06 g/mol
Exact Mass269.97
IUPAC Name(4R)-3,3-difluoro-4-iodocyclooctyne
SMILESFC1(F)C#CCCCC[C@H]1I
InChIInChI=1S/C8H9F2I/c9-8(10)6-4-2-1-3-5-7(8)11/h7H,1-3,5H2/t7-/m1/s1
InChIKeyVJNGZACRXUGEPX-SSDOTTSWSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.06
LogP ≤ 53.00
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-difluoro-4-iodocyclooctyne?
The IUPAC name of (4R)-3,3-difluoro-4-iodocyclooctyne (CID 156533064) is (4R)-3,3-difluoro-4-iodocyclooctyne.
What is the SMILES notation for (4R)-3,3-difluoro-4-iodocyclooctyne?
The canonical SMILES for (4R)-3,3-difluoro-4-iodocyclooctyne is FC1(F)C#CCCCC[C@H]1I.
What is the InChIKey of (4R)-3,3-difluoro-4-iodocyclooctyne?
The InChIKey is VJNGZACRXUGEPX-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H9F2I/c9-8(10)6-4-2-1-3-5-7(8)11/h7H,1-3,5H2/t7-/m1/s1.
What are the key properties of (4R)-3,3-difluoro-4-iodocyclooctyne?
(4R)-3,3-difluoro-4-iodocyclooctyne has a molecular weight of 270.06 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-difluoro-4-iodocyclooctyne is sourced from PubChem (CID 156533064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).