[fluoro(iodo)methyl]cyclohexane

C7H12FI — CID 134937520

IUPAC[fluoro(iodo)methyl]cyclohexane
SMILESFC(I)C1CCCCC1
InChIInChI=1S/C7H12FI/c8-7(9)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyLJTGSVLJWPTVJQ-UHFFFAOYSA-N
MW242.07 g/mol
LogP3.30
Rot. Bonds1

About [fluoro(iodo)methyl]cyclohexane

[fluoro(iodo)methyl]cyclohexane (PubChem CID 134937520) has the molecular formula C7H12FI and a molecular weight of 242.07 g/mol. Its IUPAC name is [fluoro(iodo)methyl]cyclohexane.

Molecular Properties

Compound Name[fluoro(iodo)methyl]cyclohexane
PubChem CID134937520
Molecular FormulaC7H12FI
Molecular Weight242.07 g/mol
Exact Mass242.00
IUPAC Name[fluoro(iodo)methyl]cyclohexane
SMILESFC(I)C1CCCCC1
InChIInChI=1S/C7H12FI/c8-7(9)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyLJTGSVLJWPTVJQ-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 53.30
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 [fluoro(iodo)methyl]cyclohexane?
The IUPAC name of [fluoro(iodo)methyl]cyclohexane (CID 134937520) is [fluoro(iodo)methyl]cyclohexane.
What is the SMILES notation for [fluoro(iodo)methyl]cyclohexane?
The canonical SMILES for [fluoro(iodo)methyl]cyclohexane is FC(I)C1CCCCC1.
What is the InChIKey of [fluoro(iodo)methyl]cyclohexane?
The InChIKey is LJTGSVLJWPTVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FI/c8-7(9)6-4-2-1-3-5-6/h6-7H,1-5H2.
What are the key properties of [fluoro(iodo)methyl]cyclohexane?
[fluoro(iodo)methyl]cyclohexane has a molecular weight of 242.07 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro(iodo)methyl]cyclohexane is sourced from PubChem (CID 134937520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).