trimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane

C8H17F3O3SSi — CID 87125332

IUPACtrimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane
SMILESCO[Si](CCSCCC(F)(F)F)(OC)OC
InChIInChI=1S/C8H17F3O3SSi/c1-12-16(13-2,14-3)7-6-15-5-4-8(9,10)11/h4-7H2,1-3H3
InChIKeyPOOJIYOOXPNLRP-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.55
Rot. Bonds8

About trimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane

trimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane (PubChem CID 87125332) has the molecular formula C8H17F3O3SSi and a molecular weight of 278.37 g/mol. Its IUPAC name is trimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane.

Molecular Properties

Compound Nametrimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane
PubChem CID87125332
Molecular FormulaC8H17F3O3SSi
Molecular Weight278.37 g/mol
Exact Mass278.06
IUPAC Nametrimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane
SMILESCO[Si](CCSCCC(F)(F)F)(OC)OC
InChIInChI=1S/C8H17F3O3SSi/c1-12-16(13-2,14-3)7-6-15-5-4-8(9,10)11/h4-7H2,1-3H3
InChIKeyPOOJIYOOXPNLRP-UHFFFAOYSA-N
XLogP2.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane?
The IUPAC name of trimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane (CID 87125332) is trimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane.
What is the SMILES notation for trimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane?
The canonical SMILES for trimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane is CO[Si](CCSCCC(F)(F)F)(OC)OC.
What is the InChIKey of trimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane?
The InChIKey is POOJIYOOXPNLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3O3SSi/c1-12-16(13-2,14-3)7-6-15-5-4-8(9,10)11/h4-7H2,1-3H3.
What are the key properties of trimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane?
trimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane has a molecular weight of 278.37 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[2-(3,3,3-trifluoropropylsulfanyl)ethyl]silane is sourced from PubChem (CID 87125332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).