[1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane

C12H16FNOSi — CID 134999093

IUPAC[1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
SMILES[C-]#[N+]C(C)(O[Si](C)(C)C)c1ccccc1F
InChIInChI=1S/C12H16FNOSi/c1-12(14-2,15-16(3,4)5)10-8-6-7-9-11(10)13/h6-9H,1,3-5H3
InChIKeyLASSVOUPMZCEJQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.77
Rot. Bonds3

About [1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane

[1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane (PubChem CID 134999093) has the molecular formula C12H16FNOSi and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
PubChem CID134999093
Molecular FormulaC12H16FNOSi
Molecular Weight237.35 g/mol
Exact Mass237.10
IUPAC Name[1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
SMILES[C-]#[N+]C(C)(O[Si](C)(C)C)c1ccccc1F
InChIInChI=1S/C12H16FNOSi/c1-12(14-2,15-16(3,4)5)10-8-6-7-9-11(10)13/h6-9H,1,3-5H3
InChIKeyLASSVOUPMZCEJQ-UHFFFAOYSA-N
XLogP3.77
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.77
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-(4-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11368390
2-(2-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11149090
(2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11172442
2,2,2-trifluoro-N,N-dimethyl-1-phenyl-1-trimethylsilyloxyethanamine
CID 11208552
[1-(4-Fluorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134996816
(1-Isocyano-2,3-dihydroinden-1-yl)oxy-trimethylsilane
CID 58082217
(1-isocyano-3,4-dihydro-2H-naphthalen-1-yl)oxy-trimethylsilane
CID 59658168
2-(3-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 58025392
[Isocyano-[4-(trifluoromethyl)phenyl]methoxy]-trimethylsilane
CID 59712986
1-[Tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)ethanamine
CID 176884904
2-(Dimethylamino)-2-phenyl-2-trimethylsilyloxyacetonitrile
CID 134927534
[1-(4-Chlorophenyl)-1-isocyanoethoxy]-trimethylsilane
CID 134996938

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane?
The IUPAC name of [1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane (CID 134999093) is [1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane.
What is the SMILES notation for [1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane?
The canonical SMILES for [1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane is [C-]#[N+]C(C)(O[Si](C)(C)C)c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane?
The InChIKey is LASSVOUPMZCEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOSi/c1-12(14-2,15-16(3,4)5)10-8-6-7-9-11(10)13/h6-9H,1,3-5H3.
What are the key properties of [1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane?
[1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane has a molecular weight of 237.35 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-1-isocyanoethoxy]-trimethylsilane is sourced from PubChem (CID 134999093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).