1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane

C8H12F6I2 — CID 18458463

IUPAC1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane
SMILESCCC(C)C.FC(F)(I)C(F)(F)C(F)(F)I
InChIInChI=1S/C5H12.C3F6I2/c1-4-5(2)3;4-1(5,2(6,7)10)3(8,9)11/h5H,4H2,1-3H3;
InChIKeyDAXYCBUZOCPMPH-UHFFFAOYSA-N
MW475.98 g/mol
LogP5.73
Rot. Bonds3

About 1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane

1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane (PubChem CID 18458463) has the molecular formula C8H12F6I2 and a molecular weight of 475.98 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane
PubChem CID18458463
Molecular FormulaC8H12F6I2
Molecular Weight475.98 g/mol
Exact Mass475.89
IUPAC Name1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane
SMILESCCC(C)C.FC(F)(I)C(F)(F)C(F)(F)I
InChIInChI=1S/C5H12.C3F6I2/c1-4-5(2)3;4-1(5,2(6,7)10)3(8,9)11/h5H,4H2,1-3H3;
InChIKeyDAXYCBUZOCPMPH-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 55.73
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane (CID 18458463) is 1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane is CCC(C)C.FC(F)(I)C(F)(F)C(F)(F)I.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane?
The InChIKey is DAXYCBUZOCPMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3F6I2/c1-4-5(2)3;4-1(5,2(6,7)10)3(8,9)11/h5H,4H2,1-3H3;.
What are the key properties of 1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane?
1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane has a molecular weight of 475.98 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-1,3-diiodopropane;2-methylbutane is sourced from PubChem (CID 18458463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).