[4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane

C18H22BrFOSi — CID 15661507

IUPAC[4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C18H22BrFOSi/c1-18(2,3)22(4,5)21-17-8-6-13(7-9-17)14-10-15(19)12-16(20)11-14/h6-12H,1-5H3
InChIKeyLTCZFJXTYSRBRC-UHFFFAOYSA-N
MW381.36 g/mol
LogP6.64
Rot. Bonds3

About [4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane

[4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane (PubChem CID 15661507) has the molecular formula C18H22BrFOSi and a molecular weight of 381.36 g/mol. Its IUPAC name is [4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane
PubChem CID15661507
Molecular FormulaC18H22BrFOSi
Molecular Weight381.36 g/mol
Exact Mass380.06
IUPAC Name[4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C18H22BrFOSi/c1-18(2,3)22(4,5)21-17-8-6-13(7-9-17)14-10-15(19)12-16(20)11-14/h6-12H,1-5H3
InChIKeyLTCZFJXTYSRBRC-UHFFFAOYSA-N
XLogP6.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 56.64
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

tert-butyl-dimethyl-(7-phenylnaphthalen-2-yl)oxysilane
CID 166439727
[4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane
CID 53360376
[6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 58257410
tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane
CID 59440862
2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol
CID 175597081
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane
CID 10875422
[4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane
CID 22221616
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol
CID 23553299
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-amine
CID 10801667
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline
CID 154489620
(2-bromo-6-chloro-4-fluorophenoxy)-tert-butyl-dimethylsilane
CID 167721480

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane (CID 15661507) is [4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc(F)cc(Br)c2)cc1.
What is the InChIKey of [4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane?
The InChIKey is LTCZFJXTYSRBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrFOSi/c1-18(2,3)22(4,5)21-17-8-6-13(7-9-17)14-10-15(19)12-16(20)11-14/h6-12H,1-5H3.
What are the key properties of [4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane?
[4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane has a molecular weight of 381.36 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-5-fluorophenyl)phenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 15661507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).