chloro-dimethyl-(1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)silane

C14H8ClF23Si — CID 90932983

About chloro-dimethyl-(1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)silane

chloro-dimethyl-(1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)silane (PubChem CID 90932983) has the molecular formula C14H8ClF23Si and a molecular weight of 676.71 g/mol. Its IUPAC name is chloro-dimethyl-(1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)silane.

Molecular Properties

• Compound Name: chloro-dimethyl-(1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)silane
• PubChem CID: 90932983
• Molecular Formula: C14H8ClF23Si
• Molecular Weight: 676.71 g/mol
• Exact Mass: 675.97
• IUPAC Name: chloro-dimethyl-(1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)silane
• SMILES: C[Si](C)(Cl)C(F)(F)CC(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)F
• InChI: InChI=1S/C14H8ClF23Si/c1-39(2,15)5(18,19)3-4(16,17)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)38/h3H2,1-2H3
• InChIKey: HGYZGNXGGOQXEA-UHFFFAOYSA-N
• XLogP: 9.27
• TPSA: 0.00 Ų
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.71
LogP ≤ 5	9.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-(1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)silane?

The IUPAC name of chloro-dimethyl-(1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)silane (CID 90932983) is chloro-dimethyl-(1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)silane.

What is the SMILES notation for chloro-dimethyl-(1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)silane?

The canonical SMILES for chloro-dimethyl-(1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)silane is C[Si](C)(Cl)C(F)(F)CC(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)F.

What is the InChIKey of chloro-dimethyl-(1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)silane?

The InChIKey is HGYZGNXGGOQXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF23Si/c1-39(2,15)5(18,19)3-4(16,17)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)38/h3H2,1-2H3.

What are the key properties of chloro-dimethyl-(1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)silane?

chloro-dimethyl-(1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)silane has a molecular weight of 676.71 g/mol, XLogP of 9.27, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for chloro-dimethyl-(1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)silane is sourced from PubChem (CID 90932983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).