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

C16H5ClF14OSi — CID 23523533

IUPACchloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](Cl)(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C16H5ClF14OSi/c1-2-32-33(17,13-9(22)5(18)3(15(26,27)28)6(19)10(13)23)14-11(24)7(20)4(16(29,30)31)8(21)12(14)25/h2H2,1H3
InChIKeyMHUHSIYAPUYVSB-UHFFFAOYSA-N
MW542.73 g/mol
LogP5.67
Rot. Bonds4

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

chloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane (PubChem CID 23523533) has the molecular formula C16H5ClF14OSi and a molecular weight of 542.73 g/mol. Its IUPAC name is chloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Namechloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
PubChem CID23523533
Molecular FormulaC16H5ClF14OSi
Molecular Weight542.73 g/mol
Exact Mass541.96
IUPAC Namechloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](Cl)(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C16H5ClF14OSi/c1-2-32-33(17,13-9(22)5(18)3(15(26,27)28)6(19)10(13)23)14-11(24)7(20)4(16(29,30)31)8(21)12(14)25/h2H2,1H3
InChIKeyMHUHSIYAPUYVSB-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.73
LogP ≤ 55.67
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-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The IUPAC name of chloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane (CID 23523533) is chloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane.
What is the SMILES notation for chloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The canonical SMILES for chloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane is CCO[Si](Cl)(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of chloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The InChIKey is MHUHSIYAPUYVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H5ClF14OSi/c1-2-32-33(17,13-9(22)5(18)3(15(26,27)28)6(19)10(13)23)14-11(24)7(20)4(16(29,30)31)8(21)12(14)25/h2H2,1H3.
What are the key properties of chloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
chloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane has a molecular weight of 542.73 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-ethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 23523533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).