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

C11H13F5O4Si — CID 90173031

IUPACethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane
SMILESCCO[Si](COc1c(F)c(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C11H13F5O4Si/c1-4-20-21(17-2,18-3)5-19-11-9(15)7(13)6(12)8(14)10(11)16/h4-5H2,1-3H3
InChIKeyCNOQAJIESFWBRM-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.57
Rot. Bonds7

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

ethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane (PubChem CID 90173031) has the molecular formula C11H13F5O4Si and a molecular weight of 332.30 g/mol. Its IUPAC name is ethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane.

Molecular Properties

Compound Nameethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane
PubChem CID90173031
Molecular FormulaC11H13F5O4Si
Molecular Weight332.30 g/mol
Exact Mass332.05
IUPAC Nameethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane
SMILESCCO[Si](COc1c(F)c(F)c(F)c(F)c1F)(OC)OC
InChIInChI=1S/C11H13F5O4Si/c1-4-20-21(17-2,18-3)5-19-11-9(15)7(13)6(12)8(14)10(11)16/h4-5H2,1-3H3
InChIKeyCNOQAJIESFWBRM-UHFFFAOYSA-N
XLogP2.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

ethoxy-dimethoxy-[3-(2,3,4,5,6-pentafluorophenoxy)propyl]silane
CID 90173094
ethoxy-dimethyl-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane
CID 90175042
(2,3,4,5,6-pentafluorophenyl) N-[[diethoxy(methoxy)silyl]methyl]carbamate
CID 90171931
(2,3,4,5,6-pentafluorophenyl) N-[3-[ethoxy(dimethoxy)silyl]propyl]carbamate
CID 90171901
(3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane
CID 90170563
ethoxy-dimethoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 90171128
2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene
CID 12954352
triethoxy-[(4-methoxyphenoxy)methyl]silane
CID 71395637
diethoxy-methoxy-[2-(3,4,5-trifluorophenyl)ethyl]silane
CID 90174295
2,3,4,5,6-pentafluoro-N-(triethoxysilylmethyl)aniline
CID 90172770
N-[3-[diethoxy(methoxy)silyl]propyl]-2,3,4,5,6-pentafluorobenzamide
CID 90175282
ethoxy-dimethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90174742

Frequently Asked Questions

What is the IUPAC name of ethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane?
The IUPAC name of ethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane (CID 90173031) is ethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane.
What is the SMILES notation for ethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane?
The canonical SMILES for ethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane is CCO[Si](COc1c(F)c(F)c(F)c(F)c1F)(OC)OC.
What is the InChIKey of ethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane?
The InChIKey is CNOQAJIESFWBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5O4Si/c1-4-20-21(17-2,18-3)5-19-11-9(15)7(13)6(12)8(14)10(11)16/h4-5H2,1-3H3.
What are the key properties of ethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane?
ethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane has a molecular weight of 332.30 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethoxy-[(2,3,4,5,6-pentafluorophenoxy)methyl]silane is sourced from PubChem (CID 90173031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).