(4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane

C13H22BrFOSi2 — CID 86058304

IUPAC(4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane
SMILESCOc1cc(Br)c([Si](C)(C)C)c(F)c1[Si](C)(C)C
InChIInChI=1S/C13H22BrFOSi2/c1-16-10-8-9(14)12(17(2,3)4)11(15)13(10)18(5,6)7/h8H,1-7H3
InChIKeyTXVCBROASYBFMR-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.69
Rot. Bonds3

About (4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane

(4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane (PubChem CID 86058304) has the molecular formula C13H22BrFOSi2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane.

Molecular Properties

Compound Name(4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane
PubChem CID86058304
Molecular FormulaC13H22BrFOSi2
Molecular Weight349.39 g/mol
Exact Mass348.04
IUPAC Name(4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane
SMILESCOc1cc(Br)c([Si](C)(C)C)c(F)c1[Si](C)(C)C
InChIInChI=1S/C13H22BrFOSi2/c1-16-10-8-9(14)12(17(2,3)4)11(15)13(10)18(5,6)7/h8H,1-7H3
InChIKeyTXVCBROASYBFMR-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,3-difluoro-4-iodo-6-methoxyphenyl)-trimethylsilane
CID 164891648
(6-bromo-4-chloro-2,3-difluorophenyl)-trimethylsilane
CID 164894251
1-bromo-2,4-difluoro-5-methoxybenzene
CID 68809379
1-bromo-2,3-difluoro-5-methoxy-4-methylsulfanylbenzene
CID 163198255
1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene
CID 160948339
2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde
CID 14114204
5-bromo-6-fluoro-3-methoxypyridin-2-amine
CID 135201063
1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene
CID 59135186
5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine
CID 130068654
4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol
CID 117380249
4-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117288
sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride
CID 175500910

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane?
The IUPAC name of (4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane (CID 86058304) is (4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane.
What is the SMILES notation for (4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane?
The canonical SMILES for (4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane is COc1cc(Br)c([Si](C)(C)C)c(F)c1[Si](C)(C)C.
What is the InChIKey of (4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane?
The InChIKey is TXVCBROASYBFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrFOSi2/c1-16-10-8-9(14)12(17(2,3)4)11(15)13(10)18(5,6)7/h8H,1-7H3.
What are the key properties of (4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane?
(4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane has a molecular weight of 349.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane is sourced from PubChem (CID 86058304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).