10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane

C20H16F30N2Si — CID 172827881

About 10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane

10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane (PubChem CID 172827881) has the molecular formula C20H16F30N2Si and a molecular weight of 882.39 g/mol. Its IUPAC name is 10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane.

Molecular Properties

• Compound Name: 10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane
• PubChem CID: 172827881
• Molecular Formula: C20H16F30N2Si
• Molecular Weight: 882.39 g/mol
• Exact Mass: 882.06
• IUPAC Name: 10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane
• SMILES: N[Si](N)(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C20H16F30N2Si/c21-7(22,9(25,26)11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)47)3-1-5-53(51,52)6-2-4-8(23,24)10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(48,49)50/h1-6,51-52H2
• InChIKey: VCSHFNMYRQOFMM-UHFFFAOYSA-N
• XLogP: 10.65
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 18
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.39
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

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 10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane?

The IUPAC name of 10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane (CID 172827881) is 10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane.

What is the SMILES notation for 10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane?

The canonical SMILES for 10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane is N[Si](N)(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(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 10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane?

The InChIKey is VCSHFNMYRQOFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F30N2Si/c21-7(22,9(25,26)11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)47)3-1-5-53(51,52)6-2-4-8(23,24)10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(48,49)50/h1-6,51-52H2.

What are the key properties of 10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane?

10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane has a molecular weight of 882.39 g/mol, XLogP of 10.65, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[diamino(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)silyl]-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorodecane is sourced from PubChem (CID 172827881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).