4,8-difluoro-5-iodooct-1-yne

C8H11F2I — CID 166654812

IUPAC4,8-difluoro-5-iodooct-1-yne
SMILESC#CCC(F)C(I)CCCF
InChIInChI=1S/C8H11F2I/c1-2-4-7(10)8(11)5-3-6-9/h1,7-8H,3-6H2
InChIKeyANLRPOWJHYQBQL-UHFFFAOYSA-N
MW272.08 g/mol
LogP2.90
Rot. Bonds5

About 4,8-difluoro-5-iodooct-1-yne

4,8-difluoro-5-iodooct-1-yne (PubChem CID 166654812) has the molecular formula C8H11F2I and a molecular weight of 272.08 g/mol. Its IUPAC name is 4,8-difluoro-5-iodooct-1-yne.

Molecular Properties

Compound Name4,8-difluoro-5-iodooct-1-yne
PubChem CID166654812
Molecular FormulaC8H11F2I
Molecular Weight272.08 g/mol
Exact Mass271.99
IUPAC Name4,8-difluoro-5-iodooct-1-yne
SMILESC#CCC(F)C(I)CCCF
InChIInChI=1S/C8H11F2I/c1-2-4-7(10)8(11)5-3-6-9/h1,7-8H,3-6H2
InChIKeyANLRPOWJHYQBQL-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 52.90
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 4,8-difluoro-5-iodooct-1-yne?
The IUPAC name of 4,8-difluoro-5-iodooct-1-yne (CID 166654812) is 4,8-difluoro-5-iodooct-1-yne.
What is the SMILES notation for 4,8-difluoro-5-iodooct-1-yne?
The canonical SMILES for 4,8-difluoro-5-iodooct-1-yne is C#CCC(F)C(I)CCCF.
What is the InChIKey of 4,8-difluoro-5-iodooct-1-yne?
The InChIKey is ANLRPOWJHYQBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2I/c1-2-4-7(10)8(11)5-3-6-9/h1,7-8H,3-6H2.
What are the key properties of 4,8-difluoro-5-iodooct-1-yne?
4,8-difluoro-5-iodooct-1-yne has a molecular weight of 272.08 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-difluoro-5-iodooct-1-yne is sourced from PubChem (CID 166654812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).