1-fluoro-2-iodo-1-methylcyclohexane

C7H12FI — CID 14950746

IUPAC1-fluoro-2-iodo-1-methylcyclohexane
SMILESCC1(F)CCCCC1I
InChIInChI=1S/C7H12FI/c1-7(8)5-3-2-4-6(7)9/h6H,2-5H2,1H3
InChIKeyHDIXWODSDPNNGU-UHFFFAOYSA-N
MW242.07 g/mol
LogP3.09
Rot. Bonds

About 1-fluoro-2-iodo-1-methylcyclohexane

1-fluoro-2-iodo-1-methylcyclohexane (PubChem CID 14950746) has the molecular formula C7H12FI and a molecular weight of 242.07 g/mol. Its IUPAC name is 1-fluoro-2-iodo-1-methylcyclohexane.

Molecular Properties

Compound Name1-fluoro-2-iodo-1-methylcyclohexane
PubChem CID14950746
Molecular FormulaC7H12FI
Molecular Weight242.07 g/mol
Exact Mass242.00
IUPAC Name1-fluoro-2-iodo-1-methylcyclohexane
SMILESCC1(F)CCCCC1I
InChIInChI=1S/C7H12FI/c1-7(8)5-3-2-4-6(7)9/h6H,2-5H2,1H3
InChIKeyHDIXWODSDPNNGU-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 53.09
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-fluoro-2-iodo-1-methylcyclohexane?
The IUPAC name of 1-fluoro-2-iodo-1-methylcyclohexane (CID 14950746) is 1-fluoro-2-iodo-1-methylcyclohexane.
What is the SMILES notation for 1-fluoro-2-iodo-1-methylcyclohexane?
The canonical SMILES for 1-fluoro-2-iodo-1-methylcyclohexane is CC1(F)CCCCC1I.
What is the InChIKey of 1-fluoro-2-iodo-1-methylcyclohexane?
The InChIKey is HDIXWODSDPNNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FI/c1-7(8)5-3-2-4-6(7)9/h6H,2-5H2,1H3.
What are the key properties of 1-fluoro-2-iodo-1-methylcyclohexane?
1-fluoro-2-iodo-1-methylcyclohexane has a molecular weight of 242.07 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-iodo-1-methylcyclohexane is sourced from PubChem (CID 14950746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).