1-(difluoromethyl)-2-iodocyclohexa-1,3-diene

C7H7F2I — CID 174897602

IUPAC1-(difluoromethyl)-2-iodocyclohexa-1,3-diene
SMILESFC(F)C1=C(I)C=CCC1
InChIInChI=1S/C7H7F2I/c8-7(9)5-3-1-2-4-6(5)10/h2,4,7H,1,3H2
InChIKeyYPNQHFREBUATAA-UHFFFAOYSA-N
MW256.03 g/mol
LogP3.29
Rot. Bonds1

About 1-(difluoromethyl)-2-iodocyclohexa-1,3-diene

1-(difluoromethyl)-2-iodocyclohexa-1,3-diene (PubChem CID 174897602) has the molecular formula C7H7F2I and a molecular weight of 256.03 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-iodocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(difluoromethyl)-2-iodocyclohexa-1,3-diene
PubChem CID174897602
Molecular FormulaC7H7F2I
Molecular Weight256.03 g/mol
Exact Mass255.96
IUPAC Name1-(difluoromethyl)-2-iodocyclohexa-1,3-diene
SMILESFC(F)C1=C(I)C=CCC1
InChIInChI=1S/C7H7F2I/c8-7(9)5-3-1-2-4-6(5)10/h2,4,7H,1,3H2
InChIKeyYPNQHFREBUATAA-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.03
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(difluoromethyl)-2-iodocyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-iodocyclohexa-1,3-diene?
The IUPAC name of 1-(difluoromethyl)-2-iodocyclohexa-1,3-diene (CID 174897602) is 1-(difluoromethyl)-2-iodocyclohexa-1,3-diene.
What is the SMILES notation for 1-(difluoromethyl)-2-iodocyclohexa-1,3-diene?
The canonical SMILES for 1-(difluoromethyl)-2-iodocyclohexa-1,3-diene is FC(F)C1=C(I)C=CCC1.
What is the InChIKey of 1-(difluoromethyl)-2-iodocyclohexa-1,3-diene?
The InChIKey is YPNQHFREBUATAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2I/c8-7(9)5-3-1-2-4-6(5)10/h2,4,7H,1,3H2.
What are the key properties of 1-(difluoromethyl)-2-iodocyclohexa-1,3-diene?
1-(difluoromethyl)-2-iodocyclohexa-1,3-diene has a molecular weight of 256.03 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-iodocyclohexa-1,3-diene is sourced from PubChem (CID 174897602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).