tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane

C14H16Cl9F13Si4 — CID 87967611

IUPACtris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
SMILESCC(F)C(F)(F)C(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/c1-8(24)9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)14(35,36)37(2-5-38(15,16)17,3-6-39(18,19)20)4-7-40(21,22)23/h8H,2-7H2,1H3
InChIKeyHUROJOXYJJHZEE-UHFFFAOYSA-N
MW862.68 g/mol
LogP12.11
Rot. Bonds16

About tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane

tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane (PubChem CID 87967611) has the molecular formula C14H16Cl9F13Si4 and a molecular weight of 862.68 g/mol. Its IUPAC name is tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane.

Molecular Properties

Compound Nametris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
PubChem CID87967611
Molecular FormulaC14H16Cl9F13Si4
Molecular Weight862.68 g/mol
Exact Mass857.73
IUPAC Nametris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
SMILESCC(F)C(F)(F)C(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/c1-8(24)9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)14(35,36)37(2-5-38(15,16)17,3-6-39(18,19)20)4-7-40(21,22)23/h8H,2-7H2,1H3
InChIKeyHUROJOXYJJHZEE-UHFFFAOYSA-N
XLogP12.11
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 ≤ 512.11
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

trimethyl(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane
CID 87918105
tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane
CID 87967614
diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane
CID 54143358
chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
CID 23523530
trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane
CID 142755459
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctane-1-sulfonate
CID 122480897
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorononane-1-sulfonate
CID 122481814
1,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluoronon-1-ene
CID 54309719
trichloro(3,3,4,4-tetrafluorobutyl)silane
CID 144984991
triethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)silane
CID 175552208
lithium 1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonate
CID 122481409
ethane;trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
CID 91160276

Frequently Asked Questions

What is the IUPAC name of tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane?
The IUPAC name of tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane (CID 87967611) is tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane.
What is the SMILES notation for tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane?
The canonical SMILES for tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane is CC(F)C(F)(F)C(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)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane?
The InChIKey is HUROJOXYJJHZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl9F13Si4/c1-8(24)9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)14(35,36)37(2-5-38(15,16)17,3-6-39(18,19)20)4-7-40(21,22)23/h8H,2-7H2,1H3.
What are the key properties of tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane?
tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane has a molecular weight of 862.68 g/mol, XLogP of 12.11, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-trichlorosilylethyl)-(1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorooctyl)silane is sourced from PubChem (CID 87967611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).