ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane

C12H10F8O2Si — CID 87484330

IUPACethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane
SMILESCCO[Si](OC(F)(F)C(F)(F)F)(C(F)=C(F)F)c1ccccc1
InChIInChI=1S/C12H10F8O2Si/c1-2-21-23(10(15)9(13)14,8-6-4-3-5-7-8)22-12(19,20)11(16,17)18/h3-7H,2H2,1H3
InChIKeyKARVSGHJABECAW-UHFFFAOYSA-N
MW366.28 g/mol
LogP4.16
Rot. Bonds6

About ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane

ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane (PubChem CID 87484330) has the molecular formula C12H10F8O2Si and a molecular weight of 366.28 g/mol. Its IUPAC name is ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane.

Molecular Properties

Compound Nameethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane
PubChem CID87484330
Molecular FormulaC12H10F8O2Si
Molecular Weight366.28 g/mol
Exact Mass366.03
IUPAC Nameethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane
SMILESCCO[Si](OC(F)(F)C(F)(F)F)(C(F)=C(F)F)c1ccccc1
InChIInChI=1S/C12H10F8O2Si/c1-2-21-23(10(15)9(13)14,8-6-4-3-5-7-8)22-12(19,20)11(16,17)18/h3-7H,2H2,1H3
InChIKeyKARVSGHJABECAW-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane?
The IUPAC name of ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane (CID 87484330) is ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane.
What is the SMILES notation for ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane?
The canonical SMILES for ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane is CCO[Si](OC(F)(F)C(F)(F)F)(C(F)=C(F)F)c1ccccc1.
What is the InChIKey of ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane?
The InChIKey is KARVSGHJABECAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F8O2Si/c1-2-21-23(10(15)9(13)14,8-6-4-3-5-7-8)22-12(19,20)11(16,17)18/h3-7H,2H2,1H3.
What are the key properties of ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane?
ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane has a molecular weight of 366.28 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenyl-(1,2,2-trifluoroethenyl)silane is sourced from PubChem (CID 87484330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).