tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane

C14H16Cl9F13Si4 — CID 87967614

IUPACtris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane
SMILESFC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](CC[Si](Cl)(Cl)Cl)(CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C14H16Cl9F13Si4/c15-38(16,17)6-3-37(4-7-39(18,19)20,5-8-40(21,22)23)14(35,36)13(33,34)12(31,32)11(29,30)9(24,25)1-2-10(26,27)28/h1-8H2
InChIKeyIJDQPAHFICAWPK-UHFFFAOYSA-N
MW862.68 g/mol
LogP12.46
Rot. Bonds16

About tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane

tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane (PubChem CID 87967614) has the molecular formula C14H16Cl9F13Si4 and a molecular weight of 862.68 g/mol. Its IUPAC name is tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane.

Molecular Properties

Compound Nametris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane
PubChem CID87967614
Molecular FormulaC14H16Cl9F13Si4
Molecular Weight862.68 g/mol
Exact Mass857.73
IUPAC Nametris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane
SMILESFC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](CC[Si](Cl)(Cl)Cl)(CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C14H16Cl9F13Si4/c15-38(16,17)6-3-37(4-7-39(18,19)20,5-8-40(21,22)23)14(35,36)13(33,34)12(31,32)11(29,30)9(24,25)1-2-10(26,27)28/h1-8H2
InChIKeyIJDQPAHFICAWPK-UHFFFAOYSA-N
XLogP12.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.68
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
CID 87967611
dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
CID 53431090
ethane;trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
CID 91160276
trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane
CID 2782914
dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane
CID 88685115
diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane
CID 87247873
chloro-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane
CID 59112310
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,18,18,18-tritriacontafluorooctadecan-1-ol
CID 88632833
ethane;3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(trimethoxy)silane;trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
CID 158052991
triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane
CID 159939837
dichloro-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)silane
CID 101217112
1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl acetate
CID 89413806

Frequently Asked Questions

What is the IUPAC name of tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane?
The IUPAC name of tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane (CID 87967614) is tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane.
What is the SMILES notation for tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane?
The canonical SMILES for tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane is FC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[Si](CC[Si](Cl)(Cl)Cl)(CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl.
What is the InChIKey of tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane?
The InChIKey is IJDQPAHFICAWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl9F13Si4/c15-38(16,17)6-3-37(4-7-39(18,19)20,5-8-40(21,22)23)14(35,36)13(33,34)12(31,32)11(29,30)9(24,25)1-2-10(26,27)28/h1-8H2.
What are the key properties of tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane?
tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane has a molecular weight of 862.68 g/mol, XLogP of 12.46, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane is sourced from PubChem (CID 87967614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).