[3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane

C17H23BrF2OSi — CID 122389931

IUPAC[3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC(c2ccc(Br)cc2)C(F)(F)C1
InChIInChI=1S/C17H23BrF2OSi/c1-16(2,3)22(4,5)21-14-10-15(17(19,20)11-14)12-6-8-13(18)9-7-12/h6-10,15H,11H2,1-5H3
InChIKeyIFCYQIHZVQLPRD-UHFFFAOYSA-N
MW389.36 g/mol
LogP6.48
Rot. Bonds3

About [3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane

[3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 122389931) has the molecular formula C17H23BrF2OSi and a molecular weight of 389.36 g/mol. Its IUPAC name is [3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID122389931
Molecular FormulaC17H23BrF2OSi
Molecular Weight389.36 g/mol
Exact Mass388.07
IUPAC Name[3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC(c2ccc(Br)cc2)C(F)(F)C1
InChIInChI=1S/C17H23BrF2OSi/c1-16(2,3)22(4,5)21-14-10-15(17(19,20)11-14)12-6-8-13(18)9-7-12/h6-10,15H,11H2,1-5H3
InChIKeyIFCYQIHZVQLPRD-UHFFFAOYSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.36
LogP ≤ 56.48
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-(4-Bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
CID 71211635
1-(tert-Butyldimethylsiloxy)-3-phenyl-5,5-difluoro-1-cyclopentene
CID 101790511
(2-Methyl-3-phenyl-5,5-difluoro-1-cyclopentenyloxy)tert-butyldimethylsilane
CID 102492772
[3-(4-Methylphenyl)-5,5-difluoro-1-cyclopentenyloxy]tert-butyldimethylsilane
CID 102492773
1-Phenyl-2-(tert-butyldimethylsilyloxy)-3,3-difluoro-5-phenyl-1-cyclopentene
CID 122389926
1-Bromo-2-(tert-butyldimethylsilyloxy)-3,3-difluoro-5-phenyl-1-cyclopentene
CID 122389928
2-(tert-Butyldimethylsilyloxy)-4,4-difluoro-5-phenyl-1-cyclopentene
CID 122389930
1-Methyl-2-(tert-butyldimethylsilyloxy)-4,4-difluoro-5-phenyl-1-cyclopentene
CID 122389932
Tert-butyl-[4,4-difluoro-3-(4-methylphenyl)cyclopenten-1-yl]oxy-dimethylsilane
CID 134852790
tert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane
CID 134854272
[2-(4-Bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane
CID 134967803
[2-(4-Bromophenyl)-3,3,4,4,4-pentafluorobutan-2-yl]oxy-trimethylsilane
CID 166444052

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane (CID 122389931) is [3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=CC(c2ccc(Br)cc2)C(F)(F)C1.
What is the InChIKey of [3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is IFCYQIHZVQLPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrF2OSi/c1-16(2,3)22(4,5)21-14-10-15(17(19,20)11-14)12-6-8-13(18)9-7-12/h6-10,15H,11H2,1-5H3.
What are the key properties of [3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane?
[3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 389.36 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-4,4-difluorocyclopenten-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 122389931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).