4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile

C14H19F2NOSi — CID 161218423

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile
SMILESCC(C)(C)[Si](C)(C)OCc1cc(F)c(C#N)c(F)c1
InChIInChI=1S/C14H19F2NOSi/c1-14(2,3)19(4,5)18-9-10-6-12(15)11(8-17)13(16)7-10/h6-7H,9H2,1-5H3
InChIKeyUXEJJLLXKVUJDC-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.36
Rot. Bonds3

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile (PubChem CID 161218423) has the molecular formula C14H19F2NOSi and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile
PubChem CID161218423
Molecular FormulaC14H19F2NOSi
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile
SMILESCC(C)(C)[Si](C)(C)OCc1cc(F)c(C#N)c(F)c1
InChIInChI=1S/C14H19F2NOSi/c1-14(2,3)19(4,5)18-9-10-6-12(15)11(8-17)13(16)7-10/h6-7H,9H2,1-5H3
InChIKeyUXEJJLLXKVUJDC-UHFFFAOYSA-N
XLogP4.36
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile 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

tert-butyl-dimethyl-[(3,4,5-trifluorophenyl)methoxy]silane
CID 91735449
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6-trifluorobenzonitrile
CID 155654740
3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile
CID 22050298
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluoro-2-hydroxy-3-(1-hydroxypropan-2-yl)benzonitrile
CID 145207291
5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine
CID 71429023
2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile
CID 164912149
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
5-[[tert-butyl(dimethyl)silyl]oxymethyl]furan-3-carbonitrile
CID 68522108
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanamine
CID 22049979
(2-bromo-6-methyl-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
CID 142618982
tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
CID 66845200

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile (CID 161218423) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile is CC(C)(C)[Si](C)(C)OCc1cc(F)c(C#N)c(F)c1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile?
The InChIKey is UXEJJLLXKVUJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOSi/c1-14(2,3)19(4,5)18-9-10-6-12(15)11(8-17)13(16)7-10/h6-7H,9H2,1-5H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile has a molecular weight of 283.39 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile is sourced from PubChem (CID 161218423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).