ethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane

C11H13F5O2Si — CID 90175042

IUPACethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane
SMILESCCO[Si](C)(C)COc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H13F5O2Si/c1-4-18-19(2,3)5-17-11-9(15)7(13)6(12)8(14)10(11)16/h4-5H2,1-3H3
InChIKeyYEOZPBDKJRQOOQ-UHFFFAOYSA-N
MW300.30 g/mol
LogP3.54
Rot. Bonds5

About ethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane

ethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane (PubChem CID 90175042) has the molecular formula C11H13F5O2Si and a molecular weight of 300.30 g/mol. Its IUPAC name is ethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane.

Molecular Properties

Compound Nameethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane
PubChem CID90175042
Molecular FormulaC11H13F5O2Si
Molecular Weight300.30 g/mol
Exact Mass300.06
IUPAC Nameethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane
SMILESCCO[Si](C)(C)COc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H13F5O2Si/c1-4-18-19(2,3)5-17-11-9(15)7(13)6(12)8(14)10(11)16/h4-5H2,1-3H3
InChIKeyYEOZPBDKJRQOOQ-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane?
The IUPAC name of ethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane (CID 90175042) is ethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane.
What is the SMILES notation for ethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane?
The canonical SMILES for ethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane is CCO[Si](C)(C)COc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of ethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane?
The InChIKey is YEOZPBDKJRQOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5O2Si/c1-4-18-19(2,3)5-17-11-9(15)7(13)6(12)8(14)10(11)16/h4-5H2,1-3H3.
What are the key properties of ethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane?
ethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane has a molecular weight of 300.30 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane is sourced from PubChem (CID 90175042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).