(2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane

C7H9F2I — CID 129057810

IUPAC(2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane
SMILESC[C@H]1C(I)CC2C1C2(F)F
InChIInChI=1S/C7H9F2I/c1-3-5(10)2-4-6(3)7(4,8)9/h3-6H,2H2,1H3/t3-,4?,5?,6?/m0/s1
InChIKeyKKFBSWPVORYUQJ-ALMVMMGASA-N
MW258.05 g/mol
LogP2.71
Rot. Bonds

About (2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane

(2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane (PubChem CID 129057810) has the molecular formula C7H9F2I and a molecular weight of 258.05 g/mol. Its IUPAC name is (2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane
PubChem CID129057810
Molecular FormulaC7H9F2I
Molecular Weight258.05 g/mol
Exact Mass257.97
IUPAC Name(2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane
SMILESC[C@H]1C(I)CC2C1C2(F)F
InChIInChI=1S/C7H9F2I/c1-3-5(10)2-4-6(3)7(4,8)9/h3-6H,2H2,1H3/t3-,4?,5?,6?/m0/s1
InChIKeyKKFBSWPVORYUQJ-ALMVMMGASA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.05
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'}

Analyze (2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane 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 (2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane?
The IUPAC name of (2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane (CID 129057810) is (2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane.
What is the SMILES notation for (2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane?
The canonical SMILES for (2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane is C[C@H]1C(I)CC2C1C2(F)F.
What is the InChIKey of (2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane?
The InChIKey is KKFBSWPVORYUQJ-ALMVMMGASA-N. The full InChI is InChI=1S/C7H9F2I/c1-3-5(10)2-4-6(3)7(4,8)9/h3-6H,2H2,1H3/t3-,4?,5?,6?/m0/s1.
What are the key properties of (2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane?
(2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane has a molecular weight of 258.05 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6,6-difluoro-3-iodo-2-methylbicyclo[3.1.0]hexane is sourced from PubChem (CID 129057810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).