dichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane

C9H5Cl2F7OSi — CID 23523554

IUPACdichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](Cl)(Cl)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C9H5Cl2F7OSi/c1-2-19-20(10,11)8-6(14)4(12)3(9(16,17)18)5(13)7(8)15/h2H2,1H3
InChIKeyXZKGKTZZCWLPOP-UHFFFAOYSA-N
MW361.12 g/mol
LogP3.92
Rot. Bonds3

About dichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane

dichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane (PubChem CID 23523554) has the molecular formula C9H5Cl2F7OSi and a molecular weight of 361.12 g/mol. Its IUPAC name is dichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Namedichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
PubChem CID23523554
Molecular FormulaC9H5Cl2F7OSi
Molecular Weight361.12 g/mol
Exact Mass359.94
IUPAC Namedichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](Cl)(Cl)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C9H5Cl2F7OSi/c1-2-19-20(10,11)8-6(14)4(12)3(9(16,17)18)5(13)7(8)15/h2H2,1H3
InChIKeyXZKGKTZZCWLPOP-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.12
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The IUPAC name of dichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane (CID 23523554) is dichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane.
What is the SMILES notation for dichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The canonical SMILES for dichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane is CCO[Si](Cl)(Cl)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of dichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The InChIKey is XZKGKTZZCWLPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F7OSi/c1-2-19-20(10,11)8-6(14)4(12)3(9(16,17)18)5(13)7(8)15/h2H2,1H3.
What are the key properties of dichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
dichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane has a molecular weight of 361.12 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-ethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 23523554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).