(E)-1-fluoro-2-iodotridec-2-ene

C13H24FI — CID 141333679

IUPAC(E)-1-fluoro-2-iodotridec-2-ene
SMILESCCCCCCCCCC/C=C(/I)CF
InChIInChI=1S/C13H24FI/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h11H,2-10,12H2,1H3/b13-11+
InChIKeyNWKSMYUQWHIPQS-ACCUITESSA-N
MW326.24 g/mol
LogP5.81
Rot. Bonds10

About (E)-1-fluoro-2-iodotridec-2-ene

(E)-1-fluoro-2-iodotridec-2-ene (PubChem CID 141333679) has the molecular formula C13H24FI and a molecular weight of 326.24 g/mol. Its IUPAC name is (E)-1-fluoro-2-iodotridec-2-ene.

Molecular Properties

Compound Name(E)-1-fluoro-2-iodotridec-2-ene
PubChem CID141333679
Molecular FormulaC13H24FI
Molecular Weight326.24 g/mol
Exact Mass326.09
IUPAC Name(E)-1-fluoro-2-iodotridec-2-ene
SMILESCCCCCCCCCC/C=C(/I)CF
InChIInChI=1S/C13H24FI/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h11H,2-10,12H2,1H3/b13-11+
InChIKeyNWKSMYUQWHIPQS-ACCUITESSA-N
XLogP5.81
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 ≤ 55.81
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 (E)-1-fluoro-2-iodotridec-2-ene?
The IUPAC name of (E)-1-fluoro-2-iodotridec-2-ene (CID 141333679) is (E)-1-fluoro-2-iodotridec-2-ene.
What is the SMILES notation for (E)-1-fluoro-2-iodotridec-2-ene?
The canonical SMILES for (E)-1-fluoro-2-iodotridec-2-ene is CCCCCCCCCC/C=C(/I)CF.
What is the InChIKey of (E)-1-fluoro-2-iodotridec-2-ene?
The InChIKey is NWKSMYUQWHIPQS-ACCUITESSA-N. The full InChI is InChI=1S/C13H24FI/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h11H,2-10,12H2,1H3/b13-11+.
What are the key properties of (E)-1-fluoro-2-iodotridec-2-ene?
(E)-1-fluoro-2-iodotridec-2-ene has a molecular weight of 326.24 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-2-iodotridec-2-ene is sourced from PubChem (CID 141333679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).