5-(2-fluoro-1-iodoethylidene)nonane

C11H20FI — CID 125489824

IUPAC5-(2-fluoro-1-iodoethylidene)nonane
SMILESCCCCC(CCCC)=C(I)CF
InChIInChI=1S/C11H20FI/c1-3-5-7-10(8-6-4-2)11(13)9-12/h3-9H2,1-2H3
InChIKeySGAABNJEDRDBME-UHFFFAOYSA-N
MW298.18 g/mol
LogP5.03
Rot. Bonds7

About 5-(2-fluoro-1-iodoethylidene)nonane

5-(2-fluoro-1-iodoethylidene)nonane (PubChem CID 125489824) has the molecular formula C11H20FI and a molecular weight of 298.18 g/mol. Its IUPAC name is 5-(2-fluoro-1-iodoethylidene)nonane.

Molecular Properties

Compound Name5-(2-fluoro-1-iodoethylidene)nonane
PubChem CID125489824
Molecular FormulaC11H20FI
Molecular Weight298.18 g/mol
Exact Mass298.06
IUPAC Name5-(2-fluoro-1-iodoethylidene)nonane
SMILESCCCCC(CCCC)=C(I)CF
InChIInChI=1S/C11H20FI/c1-3-5-7-10(8-6-4-2)11(13)9-12/h3-9H2,1-2H3
InChIKeySGAABNJEDRDBME-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.18
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-1-iodoethylidene)nonane?
The IUPAC name of 5-(2-fluoro-1-iodoethylidene)nonane (CID 125489824) is 5-(2-fluoro-1-iodoethylidene)nonane.
What is the SMILES notation for 5-(2-fluoro-1-iodoethylidene)nonane?
The canonical SMILES for 5-(2-fluoro-1-iodoethylidene)nonane is CCCCC(CCCC)=C(I)CF.
What is the InChIKey of 5-(2-fluoro-1-iodoethylidene)nonane?
The InChIKey is SGAABNJEDRDBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FI/c1-3-5-7-10(8-6-4-2)11(13)9-12/h3-9H2,1-2H3.
What are the key properties of 5-(2-fluoro-1-iodoethylidene)nonane?
5-(2-fluoro-1-iodoethylidene)nonane has a molecular weight of 298.18 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-1-iodoethylidene)nonane is sourced from PubChem (CID 125489824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).