[(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane

C16H24BrFOSi — CID 58834794

IUPAC[(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(c1ccc(F)c(Br)c1)C1CC1
InChIInChI=1S/C16H24BrFOSi/c1-16(2,3)20(4,5)19-15(11-6-7-11)12-8-9-14(18)13(17)10-12/h8-11,15H,6-7H2,1-5H3
InChIKeyUTHVOQHGLKLRLG-UHFFFAOYSA-N
MW359.36 g/mol
LogP6.06
Rot. Bonds4

About [(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane

[(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane (PubChem CID 58834794) has the molecular formula C16H24BrFOSi and a molecular weight of 359.36 g/mol. Its IUPAC name is [(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane
PubChem CID58834794
Molecular FormulaC16H24BrFOSi
Molecular Weight359.36 g/mol
Exact Mass358.08
IUPAC Name[(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(c1ccc(F)c(Br)c1)C1CC1
InChIInChI=1S/C16H24BrFOSi/c1-16(2,3)20(4,5)19-15(11-6-7-11)12-8-9-14(18)13(17)10-12/h8-11,15H,6-7H2,1-5H3
InChIKeyUTHVOQHGLKLRLG-UHFFFAOYSA-N
XLogP6.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.36
LogP ≤ 56.06
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

1,1,1-Trifluoro-2-(4-bromophenyl)-2-(trimethylsiloxy)ethane
CID 11427386
(3-Bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 20785462
((4-Bromo-3-fluorobenzyl)oxy)(tert-butyl)dimethylsilane
CID 57899966
1-Bromo-3-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)benzene
CID 22033147
(3-Bromophenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91725352
2-Bromo-5-fluorobenzyl alcohol, benzyldimethylsilyl ether
CID 91739503
4-Bromo-2,6-difluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 68193591
((2-Bromo-5-fluorobenzyl)oxy)(tert-butyl)dimethylsilane
CID 89561269
[1-(4-Bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane
CID 166445362
1-(3-Bromophenyl)ethenoxy-trimethylsilane
CID 11086856
2-Bromobenzyl triisopropylsilyl ether
CID 18706297
[(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane
CID 59609126

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane (CID 58834794) is [(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC(c1ccc(F)c(Br)c1)C1CC1.
What is the InChIKey of [(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane?
The InChIKey is UTHVOQHGLKLRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFOSi/c1-16(2,3)20(4,5)19-15(11-6-7-11)12-8-9-14(18)13(17)10-12/h8-11,15H,6-7H2,1-5H3.
What are the key properties of [(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane?
[(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane has a molecular weight of 359.36 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-fluorophenyl)-cyclopropylmethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 58834794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).