[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane

C12H13F15O3Si — CID 25261174

IUPAC[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane
SMILESCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)(OC)OC
InChIInChI=1S/C12H13F15O3Si/c1-28-31(29-2,30-3)5-4-6(13,14)8(16,17)10(20,21)9(18,19)7(15,11(22,23)24)12(25,26)27/h4-5H2,1-3H3
InChIKeyNUDDOJXPDZVDOK-UHFFFAOYSA-N
MW518.29 g/mol
LogP5.63
Rot. Bonds10

About [3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane

[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane (PubChem CID 25261174) has the molecular formula C12H13F15O3Si and a molecular weight of 518.29 g/mol. Its IUPAC name is [3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane.

Molecular Properties

Compound Name[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane
PubChem CID25261174
Molecular FormulaC12H13F15O3Si
Molecular Weight518.29 g/mol
Exact Mass518.04
IUPAC Name[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane
SMILESCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)(OC)OC
InChIInChI=1S/C12H13F15O3Si/c1-28-31(29-2,30-3)5-4-6(13,14)8(16,17)10(20,21)9(18,19)7(15,11(22,23)24)12(25,26)27/h4-5H2,1-3H3
InChIKeyNUDDOJXPDZVDOK-UHFFFAOYSA-N
XLogP5.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.29
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane with MolForge

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Related Compounds

Trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 2776334
Silane, (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)trimethoxy-
CID 2782918
1H,1H,2H,2H-Perfluorododecyltrimethoxysilane
CID 15651658
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl(trimethoxy)silane
CID 15072328
1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-Heptadecafluoroundecyl(trimethoxy)silane
CID 18504293
Trimethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorodecyl)silane
CID 18671048
Trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-yl)silane
CID 20081279
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Icosafluoro-11-methyldodecyl)-trimethoxysilane
CID 20586803
CID 21335541
CID 21335541
1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-Heptadecafluorodecyl(trimethoxy)silane
CID 21863415
Trimethoxy(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane
CID 21881311
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-2-yl(trimethoxy)silane
CID 22179163

Frequently Asked Questions

What is the IUPAC name of [3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane?
The IUPAC name of [3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane (CID 25261174) is [3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane.
What is the SMILES notation for [3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane?
The canonical SMILES for [3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane is CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)(OC)OC.
What is the InChIKey of [3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane?
The InChIKey is NUDDOJXPDZVDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F15O3Si/c1-28-31(29-2,30-3)5-4-6(13,14)8(16,17)10(20,21)9(18,19)7(15,11(22,23)24)12(25,26)27/h4-5H2,1-3H3.
What are the key properties of [3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane?
[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane has a molecular weight of 518.29 g/mol, XLogP of 5.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane is sourced from PubChem (CID 25261174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).