(2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane

C17H23BrF2OSi — CID 122389928

IUPAC(2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=C(Br)C(c2ccccc2)CC1(F)F
InChIInChI=1S/C17H23BrF2OSi/c1-16(2,3)22(4,5)21-15-14(18)13(11-17(15,19)20)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3
InChIKeyQQXONRFIGZGGCU-UHFFFAOYSA-N
MW389.36 g/mol
LogP6.44
Rot. Bonds3

About (2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane

(2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 122389928) has the molecular formula C17H23BrF2OSi and a molecular weight of 389.36 g/mol. Its IUPAC name is (2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID122389928
Molecular FormulaC17H23BrF2OSi
Molecular Weight389.36 g/mol
Exact Mass388.07
IUPAC Name(2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=C(Br)C(c2ccccc2)CC1(F)F
InChIInChI=1S/C17H23BrF2OSi/c1-16(2,3)22(4,5)21-15-14(18)13(11-17(15,19)20)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3
InChIKeyQQXONRFIGZGGCU-UHFFFAOYSA-N
XLogP6.44
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 ≤ 56.44
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-(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
2-(tert-Butyldimethylsilyloxy)-4,4-difluoro-5-phenyl-1-cyclopentene
CID 122389930
2-(tert-Butyldimethylsilyloxy)-4,4-difluoro-5-(4-bromophenyl)-1-cyclopentene
CID 122389931
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
[2,3-Dibromo-2-phenyl-1-(trifluoromethyl)cyclopropyl]oxy-dimethyl-phenylsilane
CID 166445007
(2-Benzyl-4,4-difluorobutoxy)-tert-butyl-dimethylsilane
CID 176438010
[(3S)-1,1-difluoro-3-methyl-5-phenylpent-1-en-2-yl]oxy-dimethyl-phenylsilane
CID 177850114

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane (CID 122389928) is (2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=C(Br)C(c2ccccc2)CC1(F)F.
What is the InChIKey of (2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is QQXONRFIGZGGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrF2OSi/c1-16(2,3)22(4,5)21-15-14(18)13(11-17(15,19)20)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3.
What are the key properties of (2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane?
(2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 389.36 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5,5-difluoro-3-phenylcyclopenten-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 122389928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).