dimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane

C16H14F5NO3Si — CID 91697507

IUPACdimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(OCCc1ccccc1[N+](=O)[O-])c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H14F5NO3Si/c1-26(2,16-14(20)12(18)11(17)13(19)15(16)21)25-8-7-9-5-3-4-6-10(9)22(23)24/h3-6H,7-8H2,1-2H3
InChIKeyFZRYTHTWUXXVON-UHFFFAOYSA-N
MW391.37 g/mol
LogP3.96
Rot. Bonds6

About dimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane

dimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 91697507) has the molecular formula C16H14F5NO3Si and a molecular weight of 391.37 g/mol. Its IUPAC name is dimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namedimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID91697507
Molecular FormulaC16H14F5NO3Si
Molecular Weight391.37 g/mol
Exact Mass391.07
IUPAC Namedimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[Si](C)(OCCc1ccccc1[N+](=O)[O-])c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H14F5NO3Si/c1-26(2,16-14(20)12(18)11(17)13(19)15(16)21)25-8-7-9-5-3-4-6-10(9)22(23)24/h3-6H,7-8H2,1-2H3
InChIKeyFZRYTHTWUXXVON-UHFFFAOYSA-N
XLogP3.96
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane
CID 91720878
2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene
CID 107661881
ethane;1-(3-methoxypropyl)-2-nitrobenzene
CID 91018205
(2-chloro-5-nitrophenyl)methoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
CID 91736361
2-(2-nitrophenyl)ethyl hydrogen sulfate
CID 87721452
2-(2-nitrophenyl)ethyl hydrogen phosphate
CID 173144888
methanol;(2-nitrophenyl)methanol
CID 70046885
bis[(2-nitrophenyl)methoxy]-diphenylsilane
CID 22342274
(2-nitrophenyl)methanol
CID 11923
2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene
CID 107348714
2-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-3-nitrobenzene
CID 107348769
1-[2-[2-(2-nitrophenyl)ethoxy]phenyl]ethanol
CID 63062121

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of dimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane (CID 91697507) is dimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for dimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for dimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane is C[Si](C)(OCCc1ccccc1[N+](=O)[O-])c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is FZRYTHTWUXXVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F5NO3Si/c1-26(2,16-14(20)12(18)11(17)13(19)15(16)21)25-8-7-9-5-3-4-6-10(9)22(23)24/h3-6H,7-8H2,1-2H3.
What are the key properties of dimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane?
dimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 391.37 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-nitrophenyl)ethoxy]-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 91697507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).