1,1-difluoro-4-iodo-4-methylcyclohexane

C7H11F2I — CID 118653860

IUPAC1,1-difluoro-4-iodo-4-methylcyclohexane
SMILESCC1(I)CCC(F)(F)CC1
InChIInChI=1S/C7H11F2I/c1-6(10)2-4-7(8,9)5-3-6/h2-5H2,1H3
InChIKeyUJUHULUUVYWRRI-UHFFFAOYSA-N
MW260.06 g/mol
LogP3.39
Rot. Bonds

About 1,1-difluoro-4-iodo-4-methylcyclohexane

1,1-difluoro-4-iodo-4-methylcyclohexane (PubChem CID 118653860) has the molecular formula C7H11F2I and a molecular weight of 260.06 g/mol. Its IUPAC name is 1,1-difluoro-4-iodo-4-methylcyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-iodo-4-methylcyclohexane
PubChem CID118653860
Molecular FormulaC7H11F2I
Molecular Weight260.06 g/mol
Exact Mass259.99
IUPAC Name1,1-difluoro-4-iodo-4-methylcyclohexane
SMILESCC1(I)CCC(F)(F)CC1
InChIInChI=1S/C7H11F2I/c1-6(10)2-4-7(8,9)5-3-6/h2-5H2,1H3
InChIKeyUJUHULUUVYWRRI-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 53.39
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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Related Compounds

1,1-difluoro-4,4-dimethylcyclohexane;methane
CID 159801836
cobalt;1,1-difluorocyclopropane
CID 143921033
1,1-difluoro-4-methoxy-4-methylcyclohexane
CID 122579761
6,6-difluorospiro[2.5]octane
CID 58561650
1-fluoro-1-methylcyclopropane
CID 18684623
1,1,3-trifluoro-3-methylcyclopentane
CID 118604356
4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine
CID 58799781
5,5-difluorocycloheptene;ethane
CID 178087768
7,7-difluoro-4-methyl-4-azaspiro[2.6]nonane
CID 176557098
5-iodo-2,2,5-trimethyloxane
CID 170186673
4,4-difluoro-1-methylbicyclo[4.1.0]heptane
CID 139551138
1,1-difluoro-4-propan-2-yl-4-(trifluoromethyl)cyclohexane
CID 171746482

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-iodo-4-methylcyclohexane?
The IUPAC name of 1,1-difluoro-4-iodo-4-methylcyclohexane (CID 118653860) is 1,1-difluoro-4-iodo-4-methylcyclohexane.
What is the SMILES notation for 1,1-difluoro-4-iodo-4-methylcyclohexane?
The canonical SMILES for 1,1-difluoro-4-iodo-4-methylcyclohexane is CC1(I)CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-iodo-4-methylcyclohexane?
The InChIKey is UJUHULUUVYWRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2I/c1-6(10)2-4-7(8,9)5-3-6/h2-5H2,1H3.
What are the key properties of 1,1-difluoro-4-iodo-4-methylcyclohexane?
1,1-difluoro-4-iodo-4-methylcyclohexane has a molecular weight of 260.06 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-iodo-4-methylcyclohexane is sourced from PubChem (CID 118653860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).