azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane

C16H22F17NO3Si — CID 174929284

IUPACazane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F.N
InChIInChI=1S/C16H19F17O3Si.H3N/c1-4-34-37(35-5-2,36-6-3)10(21)12(24,25)14(28,29)16(32,33)15(30,31)13(26,27)11(22,23)8(18)7(17)9(19)20;/h7-10H,4-6H2,1-3H3;1H3
InChIKeyVNVZHAJZQFNURY-UHFFFAOYSA-N
MW627.41 g/mol
LogP6.83
Rot. Bonds16

About azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane

azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane (PubChem CID 174929284) has the molecular formula C16H22F17NO3Si and a molecular weight of 627.41 g/mol. Its IUPAC name is azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane.

Molecular Properties

Compound Nameazane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane
PubChem CID174929284
Molecular FormulaC16H22F17NO3Si
Molecular Weight627.41 g/mol
Exact Mass627.11
IUPAC Nameazane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F.N
InChIInChI=1S/C16H19F17O3Si.H3N/c1-4-34-37(35-5-2,36-6-3)10(21)12(24,25)14(28,29)16(32,33)15(30,31)13(26,27)11(22,23)8(18)7(17)9(19)20;/h7-10H,4-6H2,1-3H3;1H3
InChIKeyVNVZHAJZQFNURY-UHFFFAOYSA-N
XLogP6.83
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.41
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane
CID 18504293
triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl)silane;triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane
CID 159378661
4,4,5,5,6,6,7,7,8,8,9,10,11,12,12-pentadecafluoro-1-triethoxysilyldodecane-3-thiol
CID 87421934
CID 22221751
CID 22221751
triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane
CID 175239862
ethyl 2,2,3,3,4,4,5,6,7,7-decafluoroheptanoate
CID 87918751
2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-pentadecafluoro-2-(2-trimethoxysilylethyl)decanethioic S-acid
CID 175379697
3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,12,12-heptadecafluoro-2-methyldodecanoic acid;propanoic acid
CID 175346800
1,1,2,2,3,3,4,4,5,6,7,7-dodecafluoroheptane-1-thiol
CID 175037264
(3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane
CID 87839555
dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane
CID 173221103
triethoxy(2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-octadecafluorodecyl)silane
CID 21254451

Frequently Asked Questions

What is the IUPAC name of azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane?
The IUPAC name of azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane (CID 174929284) is azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane.
What is the SMILES notation for azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane?
The canonical SMILES for azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane is CCO[Si](OCC)(OCC)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F.N.
What is the InChIKey of azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane?
The InChIKey is VNVZHAJZQFNURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F17O3Si.H3N/c1-4-34-37(35-5-2,36-6-3)10(21)12(24,25)14(28,29)16(32,33)15(30,31)13(26,27)11(22,23)8(18)7(17)9(19)20;/h7-10H,4-6H2,1-3H3;1H3.
What are the key properties of azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane?
azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane has a molecular weight of 627.41 g/mol, XLogP of 6.83, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane is sourced from PubChem (CID 174929284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).