1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane

C16H19F17O3Si — CID 75201310

IUPAC1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane
SMILESCCCCCCCCCC(F)(F)[Si](OC(F)(F)C(F)(F)F)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C16H19F17O3Si/c1-2-3-4-5-6-7-8-9-10(17,18)37(34-14(28,29)11(19,20)21,35-15(30,31)12(22,23)24)36-16(32,33)13(25,26)27/h2-9H2,1H3
InChIKeyXJKCJJXLDZMBPG-UHFFFAOYSA-N
MW610.38 g/mol
LogP8.76
Rot. Bonds15

About 1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane

1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane (PubChem CID 75201310) has the molecular formula C16H19F17O3Si and a molecular weight of 610.38 g/mol. Its IUPAC name is 1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane.

Molecular Properties

Compound Name1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane
PubChem CID75201310
Molecular FormulaC16H19F17O3Si
Molecular Weight610.38 g/mol
Exact Mass610.08
IUPAC Name1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane
SMILESCCCCCCCCCC(F)(F)[Si](OC(F)(F)C(F)(F)F)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C16H19F17O3Si/c1-2-3-4-5-6-7-8-9-10(17,18)37(34-14(28,29)11(19,20)21,35-15(30,31)12(22,23)24)36-16(32,33)13(25,26)27/h2-9H2,1H3
InChIKeyXJKCJJXLDZMBPG-UHFFFAOYSA-N
XLogP8.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.38
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane;hexane
CID 175549890
1,1,1,2,2-pentafluorononadecane
CID 98452406
1,1,1-trifluorohexadecane
CID 15685316
trimethoxy(1,1,8,8,8-pentafluorooctyl)silane
CID 141376252
decyl-(1,1-difluoroethoxy)-ethoxy-(1,1,2,2,2-pentafluoroethoxy)silane
CID 175214480
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
1,1,1-trifluoro-2,2-dimethylheptane
CID 139399706
9-fluoropentacosan-9-ol
CID 139794548
1-(7,7,8,8,8-pentafluorooctoxy)dodecane
CID 122503667
trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane
CID 141102210
5-fluoro-5-methoxyhexadecane
CID 176907960
1,1,1-trifluoro-3,3-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(trifluoromethyl)dodecane
CID 150550335

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane?
The IUPAC name of 1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane (CID 75201310) is 1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane.
What is the SMILES notation for 1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane?
The canonical SMILES for 1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane is CCCCCCCCCC(F)(F)[Si](OC(F)(F)C(F)(F)F)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane?
The InChIKey is XJKCJJXLDZMBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F17O3Si/c1-2-3-4-5-6-7-8-9-10(17,18)37(34-14(28,29)11(19,20)21,35-15(30,31)12(22,23)24)36-16(32,33)13(25,26)27/h2-9H2,1H3.
What are the key properties of 1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane?
1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane has a molecular weight of 610.38 g/mol, XLogP of 8.76, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorodecyl-tris(1,1,2,2,2-pentafluoroethoxy)silane is sourced from PubChem (CID 75201310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).