[isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane

C12H14F3NOSi — CID 59712986

IUPAC[isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane
SMILES[C-]#[N+]C(O[Si](C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NOSi/c1-16-11(17-18(2,3)4)9-5-7-10(8-6-9)12(13,14)15/h5-8,11H,2-4H3
InChIKeyKDRSLZQGKZIHPQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.47
Rot. Bonds3

About [isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane

[isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane (PubChem CID 59712986) has the molecular formula C12H14F3NOSi and a molecular weight of 273.33 g/mol. Its IUPAC name is [isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane.

Molecular Properties

Compound Name[isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane
PubChem CID59712986
Molecular FormulaC12H14F3NOSi
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name[isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane
SMILES[C-]#[N+]C(O[Si](C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NOSi/c1-16-11(17-18(2,3)4)9-5-7-10(8-6-9)12(13,14)15/h5-8,11H,2-4H3
InChIKeyKDRSLZQGKZIHPQ-UHFFFAOYSA-N
XLogP4.47
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N,N-dimethyl-1-phenyl-1-trimethylsilyloxyethanamine
CID 11208552
[1-(4-Fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134996816
[1-(2-Fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134999093
4-(Trifluoromethyl)benzyl alcohol, trimethylsilyl ether
CID 91737024
Magnesium, chloro(alpha-(dimethylamino)-4-(trifluoromethyl)benzenemethanolato-kappaO)-
CID 117009
3-(4-(((tert-Butyldimethylsilyl)oxy)methyl)phenyl)-3-(trifluoromethyl)-3H-diazirine
CID 13063205
[4-[Difluoro(methoxy)methyl]phenyl]methanamine
CID 153829494
[4-(Aminomethyl)phenyl]methyl hypofluorite
CID 171090267
[4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,3-difluorophenyl]methanamine
CID 173587486
[4-[Tri(propan-2-yl)silyloxymethyl]phenyl]methanamine
CID 101031711
[1-Isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane
CID 134997319
Dimethylamino-[4-(trifluoromethyl)phenyl]methanol
CID 117010

Frequently Asked Questions

What is the IUPAC name of [isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane?
The IUPAC name of [isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane (CID 59712986) is [isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane.
What is the SMILES notation for [isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane?
The canonical SMILES for [isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane is [C-]#[N+]C(O[Si](C)(C)C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane?
The InChIKey is KDRSLZQGKZIHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOSi/c1-16-11(17-18(2,3)4)9-5-7-10(8-6-9)12(13,14)15/h5-8,11H,2-4H3.
What are the key properties of [isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane?
[isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane has a molecular weight of 273.33 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane is sourced from PubChem (CID 59712986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).