[(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane

C19H29BrF2OSi — CID 178080159

IUPAC[(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane
SMILESC/C(=C\c1ccc(Br)c(F)c1F)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H29BrF2OSi/c1-12(2)24(13(3)4,14(5)6)23-11-15(7)10-16-8-9-17(20)19(22)18(16)21/h8-10,12-14H,11H2,1-7H3/b15-10+
InChIKeyGTMASNONMSNNJA-XNTDXEJSSA-N
MW419.43 g/mol
LogP7.32
Rot. Bonds7

About [(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane

[(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane (PubChem CID 178080159) has the molecular formula C19H29BrF2OSi and a molecular weight of 419.43 g/mol. Its IUPAC name is [(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane
PubChem CID178080159
Molecular FormulaC19H29BrF2OSi
Molecular Weight419.43 g/mol
Exact Mass418.11
IUPAC Name[(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane
SMILESC/C(=C\c1ccc(Br)c(F)c1F)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H29BrF2OSi/c1-12(2)24(13(3)4,14(5)6)23-11-15(7)10-16-8-9-17(20)19(22)18(16)21/h8-10,12-14H,11H2,1-7H3/b15-10+
InChIKeyGTMASNONMSNNJA-XNTDXEJSSA-N
XLogP7.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.43
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane
CID 89432026
1-bromo-2,3-difluoro-4-propan-2-yloxybenzene
CID 125116613
5-bromo-4-fluoro-2-methyl-3-propan-2-ylindazole
CID 135202630
(4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane
CID 76597874
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene
CID 79321674
2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol
CID 164658455
4-bromo-2-(difluoromethoxy)-3-fluorophenol
CID 118834241
2-(4-bromo-2,3-difluorophenoxy)-3-methylbutanoic acid
CID 138684171
1-[4-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]ethanone
CID 171001252
[(Z)-3-phenyl-2-tributylstannylprop-2-enoxy]-tri(propan-2-yl)silane
CID 134950737
1-bromo-2-fluoro-4-methoxy-3-propan-2-yloxybenzene
CID 125116564

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane (CID 178080159) is [(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane is C/C(=C\c1ccc(Br)c(F)c1F)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane?
The InChIKey is GTMASNONMSNNJA-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H29BrF2OSi/c1-12(2)24(13(3)4,14(5)6)23-11-15(7)10-16-8-9-17(20)19(22)18(16)21/h8-10,12-14H,11H2,1-7H3/b15-10+.
What are the key properties of [(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane?
[(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane has a molecular weight of 419.43 g/mol, XLogP of 7.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 178080159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).