3-fluoro-2-iodotridec-1-ene

C13H24FI — CID 102526138

IUPAC3-fluoro-2-iodotridec-1-ene
SMILESC=C(I)C(F)CCCCCCCCCC
InChIInChI=1S/C13H24FI/c1-3-4-5-6-7-8-9-10-11-13(14)12(2)15/h13H,2-11H2,1H3
InChIKeyAVORTUCCWGIPTG-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.80
Rot. Bonds10

About 3-fluoro-2-iodotridec-1-ene

3-fluoro-2-iodotridec-1-ene (PubChem CID 102526138) has the molecular formula C13H24FI and a molecular weight of 326.24 g/mol. Its IUPAC name is 3-fluoro-2-iodotridec-1-ene.

Molecular Properties

Compound Name3-fluoro-2-iodotridec-1-ene
PubChem CID102526138
Molecular FormulaC13H24FI
Molecular Weight326.24 g/mol
Exact Mass326.09
IUPAC Name3-fluoro-2-iodotridec-1-ene
SMILESC=C(I)C(F)CCCCCCCCCC
InChIInChI=1S/C13H24FI/c1-3-4-5-6-7-8-9-10-11-13(14)12(2)15/h13H,2-11H2,1H3
InChIKeyAVORTUCCWGIPTG-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-iodotridec-1-ene?
The IUPAC name of 3-fluoro-2-iodotridec-1-ene (CID 102526138) is 3-fluoro-2-iodotridec-1-ene.
What is the SMILES notation for 3-fluoro-2-iodotridec-1-ene?
The canonical SMILES for 3-fluoro-2-iodotridec-1-ene is C=C(I)C(F)CCCCCCCCCC.
What is the InChIKey of 3-fluoro-2-iodotridec-1-ene?
The InChIKey is AVORTUCCWGIPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FI/c1-3-4-5-6-7-8-9-10-11-13(14)12(2)15/h13H,2-11H2,1H3.
What are the key properties of 3-fluoro-2-iodotridec-1-ene?
3-fluoro-2-iodotridec-1-ene has a molecular weight of 326.24 g/mol, XLogP of 5.80, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-iodotridec-1-ene is sourced from PubChem (CID 102526138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).