tert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane

C19H33FOSi — CID 140891502

IUPACtert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane
SMILESCCCC(C)(C)c1cccc(CO[Si](C)(C)C(C)(C)C)c1F
InChIInChI=1S/C19H33FOSi/c1-9-13-19(5,6)16-12-10-11-15(17(16)20)14-21-22(7,8)18(2,3)4/h10-12H,9,13-14H2,1-8H3
InChIKeyQDOFHCJGCVFSNE-UHFFFAOYSA-N
MW324.56 g/mol
LogP6.43
Rot. Bonds6

About tert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane

tert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane (PubChem CID 140891502) has the molecular formula C19H33FOSi and a molecular weight of 324.56 g/mol. Its IUPAC name is tert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane
PubChem CID140891502
Molecular FormulaC19H33FOSi
Molecular Weight324.56 g/mol
Exact Mass324.23
IUPAC Nametert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane
SMILESCCCC(C)(C)c1cccc(CO[Si](C)(C)C(C)(C)C)c1F
InChIInChI=1S/C19H33FOSi/c1-9-13-19(5,6)16-12-10-11-15(17(16)20)14-21-22(7,8)18(2,3)4/h10-12H,9,13-14H2,1-8H3
InChIKeyQDOFHCJGCVFSNE-UHFFFAOYSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.56
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane 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-ethyl-6-(2-methylpentan-2-yl)phenol
CID 154203714
tert-butyl-[[3-(4,5-dihydro-1H-pyrazol-5-yl)-2-fluorophenyl]methoxy]-dimethylsilane
CID 156665642
2,6-bis(2-methylpentan-2-yl)phenol
CID 19809768
(2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 138375836
tert-butyl-[(3-fluoro-2-methylsulfanyl-4-pyridinyl)methoxy]-dimethylsilane
CID 174161770
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 102186248
5-[[tert-butyl(dimethyl)silyl]oxymethyl]naphthalen-2-amine
CID 91436936
bis[2,6-bis(2-methylpentan-2-yl)phenoxy]-fluorophosphane
CID 54553105
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-ol
CID 19981621
tert-butyl-[[2-(cyclopropylmethyl)phenyl]methoxy]-dimethylsilane
CID 142662334
2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol
CID 88886549
1-[3-[2-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoroethyl]-2-fluorophenyl]ethanamine
CID 170776064

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane (CID 140891502) is tert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane is CCCC(C)(C)c1cccc(CO[Si](C)(C)C(C)(C)C)c1F.
What is the InChIKey of tert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane?
The InChIKey is QDOFHCJGCVFSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FOSi/c1-9-13-19(5,6)16-12-10-11-15(17(16)20)14-21-22(7,8)18(2,3)4/h10-12H,9,13-14H2,1-8H3.
What are the key properties of tert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane?
tert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane has a molecular weight of 324.56 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-fluoro-3-(2-methylpentan-2-yl)phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 140891502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).