1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane

C14F32O3Si — CID 139908301

About 1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane

1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane (PubChem CID 139908301) has the molecular formula C14F32O3Si and a molecular weight of 852.17 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane.

Molecular Properties

• Compound Name: 1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane
• PubChem CID: 139908301
• Molecular Formula: C14F32O3Si
• Molecular Weight: 852.17 g/mol
• Exact Mass: 851.91
• IUPAC Name: 1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane
• SMILES: FC(F)(F)O[Si](OC(F)(F)F)(OC(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)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C14F32O3Si/c15-1(16,2(17,18)4(21,22)6(25,26)9(31,32)33)3(19,20)5(23,24)7(27,28)11(37,38)47-50(48-13(41,42)43,49-14(44,45)46)12(39,40)8(29,30)10(34,35)36
• InChIKey: HQTVLTWVCGXDDZ-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.17
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane?

The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane (CID 139908301) is 1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane.

What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane?

The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane is FC(F)(F)O[Si](OC(F)(F)F)(OC(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)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane?

The InChIKey is HQTVLTWVCGXDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14F32O3Si/c15-1(16,2(17,18)4(21,22)6(25,26)9(31,32)33)3(19,20)5(23,24)7(27,28)11(37,38)47-50(48-13(41,42)43,49-14(44,45)46)12(39,40)8(29,30)10(34,35)36.

What are the key properties of 1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane?

1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane has a molecular weight of 852.17 g/mol, XLogP of 9.99, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,2,3,3,3-heptafluoropropyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)-bis(trifluoromethoxy)silane is sourced from PubChem (CID 139908301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).