1-iodo-4-(trifluoromethyl)cyclohexane

C7H10F3I — CID 67978959

IUPAC1-iodo-4-(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C1CCC(I)CC1
InChIInChI=1S/C7H10F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6H,1-4H2
InChIKeyXOEJDULNCCTYNQ-UHFFFAOYSA-N
MW278.05 g/mol
LogP3.54
Rot. Bonds

About 1-iodo-4-(trifluoromethyl)cyclohexane

1-iodo-4-(trifluoromethyl)cyclohexane (PubChem CID 67978959) has the molecular formula C7H10F3I and a molecular weight of 278.05 g/mol. Its IUPAC name is 1-iodo-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-iodo-4-(trifluoromethyl)cyclohexane
PubChem CID67978959
Molecular FormulaC7H10F3I
Molecular Weight278.05 g/mol
Exact Mass277.98
IUPAC Name1-iodo-4-(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C1CCC(I)CC1
InChIInChI=1S/C7H10F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6H,1-4H2
InChIKeyXOEJDULNCCTYNQ-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 53.54
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 1-iodo-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-iodo-4-(trifluoromethyl)cyclohexane (CID 67978959) is 1-iodo-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-iodo-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-iodo-4-(trifluoromethyl)cyclohexane is FC(F)(F)C1CCC(I)CC1.
What is the InChIKey of 1-iodo-4-(trifluoromethyl)cyclohexane?
The InChIKey is XOEJDULNCCTYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6H,1-4H2.
What are the key properties of 1-iodo-4-(trifluoromethyl)cyclohexane?
1-iodo-4-(trifluoromethyl)cyclohexane has a molecular weight of 278.05 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 67978959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).