(2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane

C13H19BrF2OSi — CID 138375836

IUPAC(2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(F)c(F)c1Br
InChIInChI=1S/C13H19BrF2OSi/c1-13(2,3)18(4,5)17-8-9-6-7-10(15)12(16)11(9)14/h6-7H,8H2,1-5H3
InChIKeyFNIIYVLCFSUMCL-UHFFFAOYSA-N
MW337.28 g/mol
LogP5.25
Rot. Bonds3

About (2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane

(2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane (PubChem CID 138375836) has the molecular formula C13H19BrF2OSi and a molecular weight of 337.28 g/mol. Its IUPAC name is (2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane
PubChem CID138375836
Molecular FormulaC13H19BrF2OSi
Molecular Weight337.28 g/mol
Exact Mass336.04
IUPAC Name(2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(F)c(F)c1Br
InChIInChI=1S/C13H19BrF2OSi/c1-13(2,3)18(4,5)17-8-9-6-7-10(15)12(16)11(9)14/h6-7H,8H2,1-5H3
InChIKeyFNIIYVLCFSUMCL-UHFFFAOYSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.28
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane (CID 138375836) is (2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc(F)c(F)c1Br.
What is the InChIKey of (2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is FNIIYVLCFSUMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrF2OSi/c1-13(2,3)18(4,5)17-8-9-6-7-10(15)12(16)11(9)14/h6-7H,8H2,1-5H3.
What are the key properties of (2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane?
(2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 337.28 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3,4-difluorophenyl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 138375836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).