[2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane

C20H20F3NO4Si — CID 132942354

IUPAC[2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane
SMILESCOC1(c2ccc(C(F)(F)F)cc2)Oc2ccc([N+](=O)[O-])cc2C=C1[Si](C)(C)C
InChIInChI=1S/C20H20F3NO4Si/c1-27-19(14-5-7-15(8-6-14)20(21,22)23)18(29(2,3)4)12-13-11-16(24(25)26)9-10-17(13)28-19/h5-12H,1-4H3
InChIKeySBJJXLRWTKQAKP-UHFFFAOYSA-N
MW423.46 g/mol
LogP5.77
Rot. Bonds4

About [2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane

[2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane (PubChem CID 132942354) has the molecular formula C20H20F3NO4Si and a molecular weight of 423.46 g/mol. Its IUPAC name is [2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane
PubChem CID132942354
Molecular FormulaC20H20F3NO4Si
Molecular Weight423.46 g/mol
Exact Mass423.11
IUPAC Name[2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane
SMILESCOC1(c2ccc(C(F)(F)F)cc2)Oc2ccc([N+](=O)[O-])cc2C=C1[Si](C)(C)C
InChIInChI=1S/C20H20F3NO4Si/c1-27-19(14-5-7-15(8-6-14)20(21,22)23)18(29(2,3)4)12-13-11-16(24(25)26)9-10-17(13)28-19/h5-12H,1-4H3
InChIKeySBJJXLRWTKQAKP-UHFFFAOYSA-N
XLogP5.77
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.46
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-6-nitro-2-phenylchromen-3-yl)-trimethylsilane
CID 122363285
2-methoxy-6-nitro-2-phenyl-3-(2-phenylethynyl)chromene
CID 132540019
methyl 4-nitro-2-[4-(trifluoromethyl)phenyl]benzoate
CID 134630374
2,2-bis(methoxymethyl)-6-nitrochromen-3-ol
CID 142629975
methyl 4-nitro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 69206811
2,2,3,3-tetrafluoro-6-nitro-1,4-benzodioxine
CID 13255697
4-nitro-1-[4-nitro-2-[4-(trifluoromethyl)phenyl]phenoxy]-2-[4-(trifluoromethyl)phenyl]benzene
CID 23344647
4-nitroaniline;4-(trifluoromethyl)aniline
CID 175448311
1-nitro-4-(trifluoromethyl)benzene;sulfuryl dichloride
CID 174710355
methyl 5-(2-methoxycarbonyl-5-nitrophenyl)-1,3-oxazole-4-carboxylate
CID 12508154
1-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 54368698
4-methyl-6-(4-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 141290043

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane?
The IUPAC name of [2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane (CID 132942354) is [2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane.
What is the SMILES notation for [2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane?
The canonical SMILES for [2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane is COC1(c2ccc(C(F)(F)F)cc2)Oc2ccc([N+](=O)[O-])cc2C=C1[Si](C)(C)C.
What is the InChIKey of [2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane?
The InChIKey is SBJJXLRWTKQAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4Si/c1-27-19(14-5-7-15(8-6-14)20(21,22)23)18(29(2,3)4)12-13-11-16(24(25)26)9-10-17(13)28-19/h5-12H,1-4H3.
What are the key properties of [2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane?
[2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane has a molecular weight of 423.46 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-nitro-2-[4-(trifluoromethyl)phenyl]chromen-3-yl]-trimethylsilane is sourced from PubChem (CID 132942354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).