(1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane

C6H11F2I — CID 158133734

IUPAC(1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane
SMILESC=IC(F)(F)C(C)(C)C
InChIInChI=1S/C6H11F2I/c1-5(2,3)6(7,8)9-4/h4H2,1-3H3
InChIKeyFTBZEGRSXYDARW-UHFFFAOYSA-N
MW248.05 g/mol
LogP3.03
Rot. Bonds1

About (1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane

(1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane (PubChem CID 158133734) has the molecular formula C6H11F2I and a molecular weight of 248.05 g/mol. Its IUPAC name is (1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane.

Molecular Properties

Compound Name(1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane
PubChem CID158133734
Molecular FormulaC6H11F2I
Molecular Weight248.05 g/mol
Exact Mass247.99
IUPAC Name(1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane
SMILESC=IC(F)(F)C(C)(C)C
InChIInChI=1S/C6H11F2I/c1-5(2,3)6(7,8)9-4/h4H2,1-3H3
InChIKeyFTBZEGRSXYDARW-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.05
LogP ≤ 53.03
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'}

Analyze (1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane?
The IUPAC name of (1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane (CID 158133734) is (1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane.
What is the SMILES notation for (1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane?
The canonical SMILES for (1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane is C=IC(F)(F)C(C)(C)C.
What is the InChIKey of (1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane?
The InChIKey is FTBZEGRSXYDARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2I/c1-5(2,3)6(7,8)9-4/h4H2,1-3H3.
What are the key properties of (1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane?
(1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane has a molecular weight of 248.05 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-2,2-dimethylpropyl)-methylidene-λ3-iodane is sourced from PubChem (CID 158133734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).