1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane

C12F25I — CID 87743643

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane (PubChem CID 87743643) has the molecular formula C12F25I and a molecular weight of 745.99 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane.

Molecular Properties

• Compound Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane
• PubChem CID: 87743643
• Molecular Formula: C12F25I
• Molecular Weight: 745.99 g/mol
• Exact Mass: 745.86
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane
• SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(I)C(F)(F)F
• InChI: InChI=1S/C12F25I/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(32,33)34)2(15,16)4(19,20)6(23,24)8(27,28)10(31,38)12(35,36)37
• InChIKey: CZMKHPCMCUNUBA-UHFFFAOYSA-N
• XLogP: 8.93
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.99
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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'}

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane?

The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane (CID 87743643) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane.

What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane?

The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(I)C(F)(F)F.

What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane?

The InChIKey is CZMKHPCMCUNUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F25I/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(32,33)34)2(15,16)4(19,20)6(23,24)8(27,28)10(31,38)12(35,36)37.

What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane?

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane has a molecular weight of 745.99 g/mol, XLogP of 8.93, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-pentacosafluoro-11-iodododecane is sourced from PubChem (CID 87743643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).