4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile

C13H16F3NOSi — CID 91735552

IUPAC4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile
SMILESC[Si](C)(CCCC#N)OCc1c(F)ccc(F)c1F
InChIInChI=1S/C13H16F3NOSi/c1-19(2,8-4-3-7-17)18-9-10-11(14)5-6-12(15)13(10)16/h5-6H,3-4,8-9H2,1-2H3
InChIKeyBNGOIHVERCTHEP-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.13
Rot. Bonds6

About 4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile

4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile (PubChem CID 91735552) has the molecular formula C13H16F3NOSi and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile.

Molecular Properties

Compound Name4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile
PubChem CID91735552
Molecular FormulaC13H16F3NOSi
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile
SMILESC[Si](C)(CCCC#N)OCc1c(F)ccc(F)c1F
InChIInChI=1S/C13H16F3NOSi/c1-19(2,8-4-3-7-17)18-9-10-11(14)5-6-12(15)13(10)16/h5-6H,3-4,8-9H2,1-2H3
InChIKeyBNGOIHVERCTHEP-UHFFFAOYSA-N
XLogP4.13
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-Phenyl-2-((trimethylsilyl)oxy)acetonitrile
CID 605484
Silane, triethyl(phenylmethoxy)-
CID 563229
Triethylsilyloxymethyl-4-fluorobenzene
CID 11107483
tert-Butyl(4-fluorobenzyloxy)dimethylsilane
CID 13861700
Silane, (1,1-dimethylethyl)dimethyl(phenylmethoxy)-
CID 596642
2-Fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91728155
tert-Butyldimethyl((4-(trifluoromethyl)benzyl)oxy)silane
CID 11277728
Dimethyl-prop-2-enyl-[[4-(trifluoromethyl)phenyl]methoxy]silane
CID 11666259
2-(4-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11368390
2-(4-Fluorophenyl)-2-[(trimethylsilyl)oxy]acetonitrile
CID 11715552
2-[4-(Trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile
CID 11818146
2-Fluorophenyl(trimethylsilyloxy)acetonitrile
CID 11955040

Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile?
The IUPAC name of 4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile (CID 91735552) is 4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile.
What is the SMILES notation for 4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile?
The canonical SMILES for 4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile is C[Si](C)(CCCC#N)OCc1c(F)ccc(F)c1F.
What is the InChIKey of 4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile?
The InChIKey is BNGOIHVERCTHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NOSi/c1-19(2,8-4-3-7-17)18-9-10-11(14)5-6-12(15)13(10)16/h5-6H,3-4,8-9H2,1-2H3.
What are the key properties of 4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile?
4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile has a molecular weight of 287.36 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl-[(2,3,6-trifluorophenyl)methoxy]silyl]butanenitrile is sourced from PubChem (CID 91735552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).