chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane

C17H5ClF14OSi — CID 23523529

IUPACchloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](Cl)(c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C17H5ClF14OSi/c1-2-33-34(18,15-12(26)8(22)4(17(30,31)32)9(23)13(15)27)14-10(24)5(19)3(6(20)11(14)25)7(21)16(28)29/h2H2,1H3
InChIKeyPEPDFRXJTOSDPN-UHFFFAOYSA-N
MW554.74 g/mol
LogP6.18
Rot. Bonds5

About chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane

chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane (PubChem CID 23523529) has the molecular formula C17H5ClF14OSi and a molecular weight of 554.74 g/mol. Its IUPAC name is chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Namechloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
PubChem CID23523529
Molecular FormulaC17H5ClF14OSi
Molecular Weight554.74 g/mol
Exact Mass553.96
IUPAC Namechloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](Cl)(c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C17H5ClF14OSi/c1-2-33-34(18,15-12(26)8(22)4(17(30,31)32)9(23)13(15)27)14-10(24)5(19)3(6(20)11(14)25)7(21)16(28)29/h2H2,1H3
InChIKeyPEPDFRXJTOSDPN-UHFFFAOYSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 56.18
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 chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The IUPAC name of chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane (CID 23523529) is chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane.
What is the SMILES notation for chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The canonical SMILES for chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane is CCO[Si](Cl)(c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The InChIKey is PEPDFRXJTOSDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H5ClF14OSi/c1-2-33-34(18,15-12(26)8(22)4(17(30,31)32)9(23)13(15)27)14-10(24)5(19)3(6(20)11(14)25)7(21)16(28)29/h2H2,1H3.
What are the key properties of chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane has a molecular weight of 554.74 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 23523529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).