1,1-difluoro-3-iodo-2,2-dimethylpropane

C5H9F2I — CID 88907824

IUPAC1,1-difluoro-3-iodo-2,2-dimethylpropane
SMILESCC(C)(CI)C(F)F
InChIInChI=1S/C5H9F2I/c1-5(2,3-8)4(6)7/h4H,3H2,1-2H3
InChIKeyTXYCGBPQGWXLIK-UHFFFAOYSA-N
MW234.03 g/mol
LogP2.71
Rot. Bonds2

About 1,1-difluoro-3-iodo-2,2-dimethylpropane

1,1-difluoro-3-iodo-2,2-dimethylpropane (PubChem CID 88907824) has the molecular formula C5H9F2I and a molecular weight of 234.03 g/mol. Its IUPAC name is 1,1-difluoro-3-iodo-2,2-dimethylpropane.

Molecular Properties

Compound Name1,1-difluoro-3-iodo-2,2-dimethylpropane
PubChem CID88907824
Molecular FormulaC5H9F2I
Molecular Weight234.03 g/mol
Exact Mass233.97
IUPAC Name1,1-difluoro-3-iodo-2,2-dimethylpropane
SMILESCC(C)(CI)C(F)F
InChIInChI=1S/C5H9F2I/c1-5(2,3-8)4(6)7/h4H,3H2,1-2H3
InChIKeyTXYCGBPQGWXLIK-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.03
LogP ≤ 52.71
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 1,1-difluoro-3-iodo-2,2-dimethylpropane?
The IUPAC name of 1,1-difluoro-3-iodo-2,2-dimethylpropane (CID 88907824) is 1,1-difluoro-3-iodo-2,2-dimethylpropane.
What is the SMILES notation for 1,1-difluoro-3-iodo-2,2-dimethylpropane?
The canonical SMILES for 1,1-difluoro-3-iodo-2,2-dimethylpropane is CC(C)(CI)C(F)F.
What is the InChIKey of 1,1-difluoro-3-iodo-2,2-dimethylpropane?
The InChIKey is TXYCGBPQGWXLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2I/c1-5(2,3-8)4(6)7/h4H,3H2,1-2H3.
What are the key properties of 1,1-difluoro-3-iodo-2,2-dimethylpropane?
1,1-difluoro-3-iodo-2,2-dimethylpropane has a molecular weight of 234.03 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-iodo-2,2-dimethylpropane is sourced from PubChem (CID 88907824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).