(4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane

C16H26BrFOSi — CID 59704566

IUPAC(4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCc1ccc(Br)c(F)c1)(C(C)C)C(C)C
InChIInChI=1S/C16H26BrFOSi/c1-11(2)20(12(3)4,13(5)6)19-10-14-7-8-15(17)16(18)9-14/h7-9,11-13H,10H2,1-6H3
InChIKeyZPXGUUJPLNQRCZ-UHFFFAOYSA-N
MW361.37 g/mol
LogP6.28
Rot. Bonds6

About (4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane

(4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane (PubChem CID 59704566) has the molecular formula C16H26BrFOSi and a molecular weight of 361.37 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane
PubChem CID59704566
Molecular FormulaC16H26BrFOSi
Molecular Weight361.37 g/mol
Exact Mass360.09
IUPAC Name(4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCc1ccc(Br)c(F)c1)(C(C)C)C(C)C
InChIInChI=1S/C16H26BrFOSi/c1-11(2)20(12(3)4,13(5)6)19-10-14-7-8-15(17)16(18)9-14/h7-9,11-13H,10H2,1-6H3
InChIKeyZPXGUUJPLNQRCZ-UHFFFAOYSA-N
XLogP6.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.37
LogP ≤ 56.28
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

(4-Bromobenzyloxy)trimethylsilane
CID 598201
Triethylsilyloxymethyl-4-fluorobenzene
CID 11107483
tert-Butyl(4-fluorobenzyloxy)dimethylsilane
CID 13861700
2-Fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91728155
4-Bromo-2-fluoro-1-(methoxymethyl)benzene
CID 21647637
(4-Bromo-2,3,5,6-tetrafluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 101844102
1,1,1-Trifluoro-2-(4-bromophenyl)-2-(trimethylsiloxy)ethane
CID 11427386
(3-Bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 20785462
((4-Bromo-3-fluorobenzyl)oxy)(tert-butyl)dimethylsilane
CID 57899966
[2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
CID 71211635
[1-(4-Bromophenyl)-2,2-difluoroethenoxy]-trimethylsilane
CID 85820163
Silane, [[1-(4-bromophenyl)ethenyl]oxy]trimethyl-
CID 10355809

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane?
The IUPAC name of (4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane (CID 59704566) is (4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for (4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane?
The canonical SMILES for (4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane is CC(C)[Si](OCc1ccc(Br)c(F)c1)(C(C)C)C(C)C.
What is the InChIKey of (4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane?
The InChIKey is ZPXGUUJPLNQRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrFOSi/c1-11(2)20(12(3)4,13(5)6)19-10-14-7-8-15(17)16(18)9-14/h7-9,11-13H,10H2,1-6H3.
What are the key properties of (4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane?
(4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane has a molecular weight of 361.37 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 59704566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).