[1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane

C15H22BrFOSi — CID 20785305

IUPAC[1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1(c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C15H22BrFOSi/c1-14(2,3)19(4,5)18-15(8-9-15)11-6-7-13(17)12(16)10-11/h6-7,10H,8-9H2,1-5H3
InChIKeyMHKFYJWABYPRFK-UHFFFAOYSA-N
MW345.33 g/mol
LogP5.60
Rot. Bonds3

About [1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane

[1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane (PubChem CID 20785305) has the molecular formula C15H22BrFOSi and a molecular weight of 345.33 g/mol. Its IUPAC name is [1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane
PubChem CID20785305
Molecular FormulaC15H22BrFOSi
Molecular Weight345.33 g/mol
Exact Mass344.06
IUPAC Name[1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1(c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C15H22BrFOSi/c1-14(2,3)19(4,5)18-15(8-9-15)11-6-7-13(17)12(16)10-11/h6-7,10H,8-9H2,1-5H3
InChIKeyMHKFYJWABYPRFK-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.33
LogP ≤ 55.60
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 84696334
CID 84696334
CID 20785462
CID 20785462
CID 57899966
CID 57899966
CID 71211635
CID 71211635
CID 22033147
CID 22033147
CID 91725352
CID 91725352
CID 89561269
CID 89561269
CID 166444052
CID 166444052
CID 168301398
CID 168301398
CID 11086856
CID 11086856
CID 15148994
CID 15148994
CID 101080942
CID 101080942

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane (CID 20785305) is [1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1(c2ccc(F)c(Br)c2)CC1.
What is the InChIKey of [1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MHKFYJWABYPRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFOSi/c1-14(2,3)19(4,5)18-15(8-9-15)11-6-7-13(17)12(16)10-11/h6-7,10H,8-9H2,1-5H3.
What are the key properties of [1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane?
[1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 345.33 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-fluorophenyl)cyclopropyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 20785305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).