2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene

C16H26BrF3OSi — CID 162014884

IUPAC2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene
SMILESCC(C)(C)[Si](C)(C)OCCBr.Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H19BrOSi.C8H7F3/c1-8(2,3)11(4,5)10-7-6-9;1-6-3-2-4-7(5-6)8(9,10)11/h6-7H2,1-5H3;2-5H,1H3
InChIKeyYTYXQRJBAJOZNE-UHFFFAOYSA-N
MW399.37 g/mol
LogP6.42
Rot. Bonds3

About 2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene

2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene (PubChem CID 162014884) has the molecular formula C16H26BrF3OSi and a molecular weight of 399.37 g/mol. Its IUPAC name is 2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene
PubChem CID162014884
Molecular FormulaC16H26BrF3OSi
Molecular Weight399.37 g/mol
Exact Mass398.09
IUPAC Name2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene
SMILESCC(C)(C)[Si](C)(C)OCCBr.Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H19BrOSi.C8H7F3/c1-8(2,3)11(4,5)10-7-6-9;1-6-3-2-4-7(5-6)8(9,10)11/h6-7H2,1-5H3;2-5H,1H3
InChIKeyYTYXQRJBAJOZNE-UHFFFAOYSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.37
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene?
The IUPAC name of 2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene (CID 162014884) is 2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene is CC(C)(C)[Si](C)(C)OCCBr.Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene?
The InChIKey is YTYXQRJBAJOZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BrOSi.C8H7F3/c1-8(2,3)11(4,5)10-7-6-9;1-6-3-2-4-7(5-6)8(9,10)11/h6-7H2,1-5H3;2-5H,1H3.
What are the key properties of 2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene?
2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene has a molecular weight of 399.37 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 162014884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).