4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene

C6H4F3I — CID 88961800

IUPAC4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene
SMILESFC(F)(F)C1=CC=IC=C1
InChIInChI=1S/C6H4F3I/c7-6(8,9)5-1-3-10-4-2-5/h1-4H
InChIKeyLXOUDFFDGNOJFP-UHFFFAOYSA-N
MW260.00 g/mol
LogP2.78
Rot. Bonds

About 4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene

4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene (PubChem CID 88961800) has the molecular formula C6H4F3I and a molecular weight of 260.00 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene.

Molecular Properties

Compound Name4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene
PubChem CID88961800
Molecular FormulaC6H4F3I
Molecular Weight260.00 g/mol
Exact Mass259.93
IUPAC Name4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene
SMILESFC(F)(F)C1=CC=IC=C1
InChIInChI=1S/C6H4F3I/c7-6(8,9)5-1-3-10-4-2-5/h1-4H
InChIKeyLXOUDFFDGNOJFP-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.00
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene?
The IUPAC name of 4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene (CID 88961800) is 4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene.
What is the SMILES notation for 4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene?
The canonical SMILES for 4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene is FC(F)(F)C1=CC=IC=C1.
What is the InChIKey of 4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene?
The InChIKey is LXOUDFFDGNOJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3I/c7-6(8,9)5-1-3-10-4-2-5/h1-4H.
What are the key properties of 4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene?
4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene has a molecular weight of 260.00 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1λ3-iodacyclohexa-1,3,5-triene is sourced from PubChem (CID 88961800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).