3-iodo-1-(trifluoromethyl)cyclohexene

C7H8F3I — CID 162620156

IUPAC3-iodo-1-(trifluoromethyl)cyclohexene
SMILESFC(F)(F)C1=CC(I)CCC1
InChIInChI=1S/C7H8F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h4,6H,1-3H2
InChIKeyQPWSJSLVINEXLO-UHFFFAOYSA-N
MW276.04 g/mol
LogP3.46
Rot. Bonds

About 3-iodo-1-(trifluoromethyl)cyclohexene

3-iodo-1-(trifluoromethyl)cyclohexene (PubChem CID 162620156) has the molecular formula C7H8F3I and a molecular weight of 276.04 g/mol. Its IUPAC name is 3-iodo-1-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name3-iodo-1-(trifluoromethyl)cyclohexene
PubChem CID162620156
Molecular FormulaC7H8F3I
Molecular Weight276.04 g/mol
Exact Mass275.96
IUPAC Name3-iodo-1-(trifluoromethyl)cyclohexene
SMILESFC(F)(F)C1=CC(I)CCC1
InChIInChI=1S/C7H8F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h4,6H,1-3H2
InChIKeyQPWSJSLVINEXLO-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.04
LogP ≤ 53.46
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-(trifluoromethyl)cyclohexene?
The IUPAC name of 3-iodo-1-(trifluoromethyl)cyclohexene (CID 162620156) is 3-iodo-1-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 3-iodo-1-(trifluoromethyl)cyclohexene?
The canonical SMILES for 3-iodo-1-(trifluoromethyl)cyclohexene is FC(F)(F)C1=CC(I)CCC1.
What is the InChIKey of 3-iodo-1-(trifluoromethyl)cyclohexene?
The InChIKey is QPWSJSLVINEXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h4,6H,1-3H2.
What are the key properties of 3-iodo-1-(trifluoromethyl)cyclohexene?
3-iodo-1-(trifluoromethyl)cyclohexene has a molecular weight of 276.04 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 162620156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).