trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane

C12H16F3NO3Si — CID 86223117

IUPACtrimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane
SMILESCC(O[Si](C)(C)C)(c1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIInChI=1S/C12H16F3NO3Si/c1-11(12(13,14)15,19-20(2,3)4)9-5-7-10(8-6-9)16(17)18/h5-8H,1-4H3
InChIKeyWZFVKSVNUUDKEW-UHFFFAOYSA-N
MW307.34 g/mol
LogP4.22
Rot. Bonds4

About trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane

trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane (PubChem CID 86223117) has the molecular formula C12H16F3NO3Si and a molecular weight of 307.34 g/mol. Its IUPAC name is trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane
PubChem CID86223117
Molecular FormulaC12H16F3NO3Si
Molecular Weight307.34 g/mol
Exact Mass307.09
IUPAC Nametrimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane
SMILESCC(O[Si](C)(C)C)(c1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIInChI=1S/C12H16F3NO3Si/c1-11(12(13,14)15,19-20(2,3)4)9-5-7-10(8-6-9)16(17)18/h5-8H,1-4H3
InChIKeyWZFVKSVNUUDKEW-UHFFFAOYSA-N
XLogP4.22
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

2-(4-Nitrophenyl)propan-2-ol
CID 597077
1,1,1-Trifluoro-2-(4-nitrophenyl)propan-2-ol
CID 58813053
2-Methyl-2-(4-nitrophenyl)oxirane
CID 135634
(2S)-1,1,1-trifluoro-2-(3-nitrophenyl)propan-2-ol
CID 25129228
1-(4-Nitrophenyl)-2,2,2-trifluoroethane-1,1-diol
CID 68987567
Trimethyl[2,2,2-trifluoro-1-(4-nitrophenyl)ethoxy]silane
CID 71414533
Silane, trimethyl[(4-nitrophenyl)methoxy]-
CID 610906
tert-Butyldimethyl((4-nitrobenzyl)oxy)silane
CID 11065418
Trimethyl((1-(4-nitrophenyl)vinyl)oxy)silane
CID 11831456
1-Phenyl-1-(4-nitrophenyl)-2,2,2-trifluoroethanol
CID 22015922
3,3,3-Trifluoro-1-(4-nitrophenyl)propan-1-ol
CID 162347203
2-(3-Methyl-4-nitrophenyl)propan-2-ol
CID 130153835

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane?
The IUPAC name of trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane (CID 86223117) is trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane?
The canonical SMILES for trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane is CC(O[Si](C)(C)C)(c1ccc([N+](=O)[O-])cc1)C(F)(F)F.
What is the InChIKey of trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane?
The InChIKey is WZFVKSVNUUDKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3Si/c1-11(12(13,14)15,19-20(2,3)4)9-5-7-10(8-6-9)16(17)18/h5-8H,1-4H3.
What are the key properties of trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane?
trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane has a molecular weight of 307.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-yl]oxysilane is sourced from PubChem (CID 86223117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).