[1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane

C18H17BrF6OSi — CID 140866745

IUPAC[1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccc(Br)cc1)(c1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C18H17BrF6OSi/c1-27(2,3)26-16(18(23,24)25,12-7-9-15(19)10-8-12)13-5-4-6-14(11-13)17(20,21)22/h4-11H,1-3H3
InChIKeyPCNINLVRBZVGBP-UHFFFAOYSA-N
MW471.31 g/mol
LogP7.13
Rot. Bonds4

About [1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane

[1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane (PubChem CID 140866745) has the molecular formula C18H17BrF6OSi and a molecular weight of 471.31 g/mol. Its IUPAC name is [1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane
PubChem CID140866745
Molecular FormulaC18H17BrF6OSi
Molecular Weight471.31 g/mol
Exact Mass470.01
IUPAC Name[1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccc(Br)cc1)(c1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C18H17BrF6OSi/c1-27(2,3)26-16(18(23,24)25,12-7-9-15(19)10-8-12)13-5-4-6-14(11-13)17(20,21)22/h4-11H,1-3H3
InChIKeyPCNINLVRBZVGBP-UHFFFAOYSA-N
XLogP7.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.31
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane?
The IUPAC name of [1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane (CID 140866745) is [1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane.
What is the SMILES notation for [1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane?
The canonical SMILES for [1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane is C[Si](C)(C)OC(c1ccc(Br)cc1)(c1cccc(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of [1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane?
The InChIKey is PCNINLVRBZVGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF6OSi/c1-27(2,3)26-16(18(23,24)25,12-7-9-15(19)10-8-12)13-5-4-6-14(11-13)17(20,21)22/h4-11H,1-3H3.
What are the key properties of [1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane?
[1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane has a molecular weight of 471.31 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethoxy]-trimethylsilane is sourced from PubChem (CID 140866745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).