tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane

C16H24F2OSi — CID 162540016

IUPACtert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane
SMILESCC1C(F)(F)C1(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24F2OSi/c1-12-15(16(12,17)18,13-10-8-7-9-11-13)19-20(5,6)14(2,3)4/h7-12H,1-6H3
InChIKeyUNKKOTGCMMXCBK-UHFFFAOYSA-N
MW298.45 g/mol
LogP5.19
Rot. Bonds3

About tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane

tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane (PubChem CID 162540016) has the molecular formula C16H24F2OSi and a molecular weight of 298.45 g/mol. Its IUPAC name is tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane
PubChem CID162540016
Molecular FormulaC16H24F2OSi
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Nametert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane
SMILESCC1C(F)(F)C1(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24F2OSi/c1-12-15(16(12,17)18,13-10-8-7-9-11-13)19-20(5,6)14(2,3)4/h7-12H,1-6H3
InChIKeyUNKKOTGCMMXCBK-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.45
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-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

tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane
CID 101364464
tert-butyl-[(3S,4R)-2,2-dimethyl-3-methylsulfanyl-4-phenyloxetan-3-yl]oxy-dimethylsilane
CID 101051271
tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane
CID 134924163
tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane
CID 10739426
tert-butyl-dimethyl-[1-methyl-2-[(1R)-1-phenylpropyl]cyclopropyl]oxysilane
CID 10902806
tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 101218621
(4-benzhydrylidene-2-tert-butyloxetan-2-yl)oxy-tert-butyl-dimethylsilane
CID 13293861
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolan-2-ol
CID 102285704
tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane
CID 15517186
dimethyl (1R,8S,9S,10S)-1-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-dicarboxylate
CID 138973205
4-[3-[2-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-phenylcyclopropyl]propyl]cyclohex-2-en-1-one
CID 15402494
tert-butyl-dimethyl-(2-phenylethenoxy)silane
CID 10466833

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane (CID 162540016) is tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane is CC1C(F)(F)C1(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane?
The InChIKey is UNKKOTGCMMXCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2OSi/c1-12-15(16(12,17)18,13-10-8-7-9-11-13)19-20(5,6)14(2,3)4/h7-12H,1-6H3.
What are the key properties of tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane?
tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane has a molecular weight of 298.45 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane is sourced from PubChem (CID 162540016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).