[2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane

C17H23BrF6O2Si — CID 154615128

IUPAC[2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(COCc1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H23BrF6O2Si/c1-4-27(5-2,6-3)26-15(16(19,20)21,17(22,23)24)12-25-11-13-7-9-14(18)10-8-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyKNWYDPWTWGGFDH-UHFFFAOYSA-N
MW481.35 g/mol
LogP6.85
Rot. Bonds9

About [2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane

[2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane (PubChem CID 154615128) has the molecular formula C17H23BrF6O2Si and a molecular weight of 481.35 g/mol. Its IUPAC name is [2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane
PubChem CID154615128
Molecular FormulaC17H23BrF6O2Si
Molecular Weight481.35 g/mol
Exact Mass480.06
IUPAC Name[2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(COCc1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H23BrF6O2Si/c1-4-27(5-2,6-3)26-15(16(19,20)21,17(22,23)24)12-25-11-13-7-9-14(18)10-8-13/h7-10H,4-6,11-12H2,1-3H3
InChIKeyKNWYDPWTWGGFDH-UHFFFAOYSA-N
XLogP6.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.35
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-4-((2-methoxyethoxy)methyl)benzene
CID 21997565
1-Bromo-4-((2,2,2-trifluoroethoxy)methyl)benzene
CID 61531965
1,1,1-Trifluoro-2-(4-bromophenyl)-2-(trimethylsiloxy)ethane
CID 11427386
((4-Bromo-3-fluorobenzyl)oxy)(tert-butyl)dimethylsilane
CID 57899966
[1-(4-Bromophenyl)-2,2-difluoroethenoxy]-trimethylsilane
CID 85820163
1-Bromo-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene
CID 135060740
4-Bromo-2,6-difluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 68193591
[2-(4-Bromophenyl)-3,3,4,4,4-pentafluorobutan-2-yl]oxy-trimethylsilane
CID 166444052
[1-(4-Bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane
CID 166445362
1-Bromo-4-[1-(2,2,2-trifluoroethoxy)ethyl]benzene
CID 15049498
2-(4-Bromobenzyloxy)ethyl trifluoromethyl ether
CID 18464551
2-(4-Bromophenyl)-2-[2-(trimethylsilyl)ethoxymethoxy]-1,1,1,3,3,3-hexafluoropropane
CID 19707461

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane?
The IUPAC name of [2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane (CID 154615128) is [2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane.
What is the SMILES notation for [2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane?
The canonical SMILES for [2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane is CC[Si](CC)(CC)OC(COCc1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane?
The InChIKey is KNWYDPWTWGGFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrF6O2Si/c1-4-27(5-2,6-3)26-15(16(19,20)21,17(22,23)24)12-25-11-13-7-9-14(18)10-8-13/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of [2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane?
[2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane has a molecular weight of 481.35 g/mol, XLogP of 6.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane is sourced from PubChem (CID 154615128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).