4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile

C13H15F4NOSi — CID 91737365

IUPAC4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile
SMILESC[Si](C)(CCCC#N)OCc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F4NOSi/c1-20(2,6-4-3-5-18)19-8-9-7-10(14)12(16)13(17)11(9)15/h7H,3-4,6,8H2,1-2H3
InChIKeyOIRFPBQOHBFELD-UHFFFAOYSA-N
MW305.35 g/mol
LogP4.27
Rot. Bonds6

About 4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile

4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile (PubChem CID 91737365) has the molecular formula C13H15F4NOSi and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile.

Molecular Properties

Compound Name4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile
PubChem CID91737365
Molecular FormulaC13H15F4NOSi
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile
SMILESC[Si](C)(CCCC#N)OCc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F4NOSi/c1-20(2,6-4-3-5-18)19-8-9-7-10(14)12(16)13(17)11(9)15/h7H,3-4,6,8H2,1-2H3
InChIKeyOIRFPBQOHBFELD-UHFFFAOYSA-N
XLogP4.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 54.27
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': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Phenyl-2-((trimethylsilyl)oxy)acetonitrile
CID 605484
Triethylsilyloxymethyl-4-fluorobenzene
CID 11107483
tert-Butyl(4-fluorobenzyloxy)dimethylsilane
CID 13861700
2-Fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91728155
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
Fluoro-[[fluoro(dimethyl)silyl]oxy-phenylmethyl]-dimethylsilane
CID 86186484
Tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane
CID 154720097
(2R)-2-[(tert-butyldimethylsilyl)oxy]-2-phenylacetonitrile
CID 5325032
2-[Tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile
CID 10610516

Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile?
The IUPAC name of 4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile (CID 91737365) is 4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile.
What is the SMILES notation for 4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile?
The canonical SMILES for 4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile is C[Si](C)(CCCC#N)OCc1cc(F)c(F)c(F)c1F.
What is the InChIKey of 4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile?
The InChIKey is OIRFPBQOHBFELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NOSi/c1-20(2,6-4-3-5-18)19-8-9-7-10(14)12(16)13(17)11(9)15/h7H,3-4,6,8H2,1-2H3.
What are the key properties of 4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile?
4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile has a molecular weight of 305.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl-[(2,3,4,5-tetrafluorophenyl)methoxy]silyl]butanenitrile is sourced from PubChem (CID 91737365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).