2-fluoro-5-iodocyclohexa-1,3-diene

C6H6FI — CID 18756291

IUPAC2-fluoro-5-iodocyclohexa-1,3-diene
SMILESFC1=CCC(I)C=C1
InChIInChI=1S/C6H6FI/c7-5-1-3-6(8)4-2-5/h1-3,6H,4H2
InChIKeyWHHJHYFYCSUZAX-UHFFFAOYSA-N
MW224.02 g/mol
LogP2.60
Rot. Bonds

About 2-fluoro-5-iodocyclohexa-1,3-diene

2-fluoro-5-iodocyclohexa-1,3-diene (PubChem CID 18756291) has the molecular formula C6H6FI and a molecular weight of 224.02 g/mol. Its IUPAC name is 2-fluoro-5-iodocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-5-iodocyclohexa-1,3-diene
PubChem CID18756291
Molecular FormulaC6H6FI
Molecular Weight224.02 g/mol
Exact Mass223.95
IUPAC Name2-fluoro-5-iodocyclohexa-1,3-diene
SMILESFC1=CCC(I)C=C1
InChIInChI=1S/C6H6FI/c7-5-1-3-6(8)4-2-5/h1-3,6H,4H2
InChIKeyWHHJHYFYCSUZAX-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.02
LogP ≤ 52.60
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-iodocyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-5-iodocyclohexa-1,3-diene (CID 18756291) is 2-fluoro-5-iodocyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-5-iodocyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-5-iodocyclohexa-1,3-diene is FC1=CCC(I)C=C1.
What is the InChIKey of 2-fluoro-5-iodocyclohexa-1,3-diene?
The InChIKey is WHHJHYFYCSUZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FI/c7-5-1-3-6(8)4-2-5/h1-3,6H,4H2.
What are the key properties of 2-fluoro-5-iodocyclohexa-1,3-diene?
2-fluoro-5-iodocyclohexa-1,3-diene has a molecular weight of 224.02 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-iodocyclohexa-1,3-diene is sourced from PubChem (CID 18756291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).