(2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane

C9H11BrClFOSi — CID 167737943

IUPAC(2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane
SMILESC[Si](C)(C)Oc1c(F)cc(Cl)cc1Br
InChIInChI=1S/C9H11BrClFOSi/c1-14(2,3)13-9-7(10)4-6(11)5-8(9)12/h4-5H,1-3H3
InChIKeyURFIYWLGIKYDLL-UHFFFAOYSA-N
MW297.63 g/mol
LogP4.46
Rot. Bonds2

About (2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane

(2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane (PubChem CID 167737943) has the molecular formula C9H11BrClFOSi and a molecular weight of 297.63 g/mol. Its IUPAC name is (2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane.

Molecular Properties

Compound Name(2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane
PubChem CID167737943
Molecular FormulaC9H11BrClFOSi
Molecular Weight297.63 g/mol
Exact Mass295.94
IUPAC Name(2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane
SMILESC[Si](C)(C)Oc1c(F)cc(Cl)cc1Br
InChIInChI=1S/C9H11BrClFOSi/c1-14(2,3)13-9-7(10)4-6(11)5-8(9)12/h4-5H,1-3H3
InChIKeyURFIYWLGIKYDLL-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.63
LogP ≤ 54.46
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

CID 3838744
CID 3838744
CID 141674896
CID 141674896
CID 177921344
CID 177921344
CID 86015297
CID 86015297
CID 14496882
CID 14496882
CID 101484242
CID 101484242
CID 130500380
CID 130500380
CID 167715426
CID 167715426
CID 167716543
CID 167716543
CID 167716733
CID 167716733
CID 167718584
CID 167718584
CID 167721480
CID 167721480

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane?
The IUPAC name of (2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane (CID 167737943) is (2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane.
What is the SMILES notation for (2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane?
The canonical SMILES for (2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane is C[Si](C)(C)Oc1c(F)cc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane?
The InChIKey is URFIYWLGIKYDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClFOSi/c1-14(2,3)13-9-7(10)4-6(11)5-8(9)12/h4-5H,1-3H3.
What are the key properties of (2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane?
(2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane has a molecular weight of 297.63 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane is sourced from PubChem (CID 167737943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).