4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile

C13H17F2NOSi — CID 91733142

IUPAC4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile
SMILESC[Si](C)(CCCC#N)OCc1cc(F)ccc1F
InChIInChI=1S/C13H17F2NOSi/c1-18(2,8-4-3-7-16)17-10-11-9-12(14)5-6-13(11)15/h5-6,9H,3-4,8,10H2,1-2H3
InChIKeyIUBUSFNLZPZGAR-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.99
Rot. Bonds6

About 4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile

4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile (PubChem CID 91733142) has the molecular formula C13H17F2NOSi and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile
PubChem CID91733142
Molecular FormulaC13H17F2NOSi
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile
SMILESC[Si](C)(CCCC#N)OCc1cc(F)ccc1F
InChIInChI=1S/C13H17F2NOSi/c1-18(2,8-4-3-7-16)17-10-11-9-12(14)5-6-13(11)15/h5-6,9H,3-4,8,10H2,1-2H3
InChIKeyIUBUSFNLZPZGAR-UHFFFAOYSA-N
XLogP3.99
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]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

Benzyloxytrimethylsilane
CID 518982
2-Phenyl-2-((trimethylsilyl)oxy)acetonitrile
CID 605484
Silane, triethyl(phenylmethoxy)-
CID 563229
((1-(2-Fluorophenyl)vinyl)oxy)trimethylsilane
CID 10954822
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
Silane, [[1-(4-fluorophenyl)ethenyl]oxy]trimethyl-
CID 10398215
2-(4-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11368390

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile?
The IUPAC name of 4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile (CID 91733142) is 4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile?
The canonical SMILES for 4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile is C[Si](C)(CCCC#N)OCc1cc(F)ccc1F.
What is the InChIKey of 4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile?
The InChIKey is IUBUSFNLZPZGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NOSi/c1-18(2,8-4-3-7-16)17-10-11-9-12(14)5-6-13(11)15/h5-6,9H,3-4,8,10H2,1-2H3.
What are the key properties of 4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile?
4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile has a molecular weight of 269.37 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methoxy-dimethylsilyl]butanenitrile is sourced from PubChem (CID 91733142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).