1-fluoro-12-iodododecane

C12H24FI — CID 138596660

IUPAC1-fluoro-12-iodododecane
SMILESFCCCCCCCCCCCCI
InChIInChI=1S/C12H24FI/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2
InChIKeyMZRAUGIYRYTKQY-UHFFFAOYSA-N
MW314.23 g/mol
LogP5.29
Rot. Bonds11

About 1-fluoro-12-iodododecane

1-fluoro-12-iodododecane (PubChem CID 138596660) has the molecular formula C12H24FI and a molecular weight of 314.23 g/mol. Its IUPAC name is 1-fluoro-12-iodododecane.

Molecular Properties

Compound Name1-fluoro-12-iodododecane
PubChem CID138596660
Molecular FormulaC12H24FI
Molecular Weight314.23 g/mol
Exact Mass314.09
IUPAC Name1-fluoro-12-iodododecane
SMILESFCCCCCCCCCCCCI
InChIInChI=1S/C12H24FI/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2
InChIKeyMZRAUGIYRYTKQY-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.23
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-12-iodododecane?
The IUPAC name of 1-fluoro-12-iodododecane (CID 138596660) is 1-fluoro-12-iodododecane.
What is the SMILES notation for 1-fluoro-12-iodododecane?
The canonical SMILES for 1-fluoro-12-iodododecane is FCCCCCCCCCCCCI.
What is the InChIKey of 1-fluoro-12-iodododecane?
The InChIKey is MZRAUGIYRYTKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FI/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2.
What are the key properties of 1-fluoro-12-iodododecane?
1-fluoro-12-iodododecane has a molecular weight of 314.23 g/mol, XLogP of 5.29, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-12-iodododecane is sourced from PubChem (CID 138596660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).