2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane

C15H19BrF6O2Si — CID 19707461

IUPAC2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOC(c1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H19BrF6O2Si/c1-25(2,3)9-8-23-10-24-13(14(17,18)19,15(20,21)22)11-4-6-12(16)7-5-11/h4-7H,8-10H2,1-3H3
InChIKeyUPYLMAWVDTTZQL-UHFFFAOYSA-N
MW453.29 g/mol
LogP6.10
Rot. Bonds7

About 2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane

2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 19707461) has the molecular formula C15H19BrF6O2Si and a molecular weight of 453.29 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID19707461
Molecular FormulaC15H19BrF6O2Si
Molecular Weight453.29 g/mol
Exact Mass452.02
IUPAC Name2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOC(c1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H19BrF6O2Si/c1-25(2,3)9-8-23-10-24-13(14(17,18)19,15(20,21)22)11-4-6-12(16)7-5-11/h4-7H,8-10H2,1-3H3
InChIKeyUPYLMAWVDTTZQL-UHFFFAOYSA-N
XLogP6.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.29
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Bromo-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene
CID 137942805
[2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
CID 71211635
(2S,3R)-2-(4-bromophenyl)-3-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxetane
CID 138972306
[2-(4-Bromophenyl)-3,3,4,4,4-pentafluorobutan-2-yl]oxy-trimethylsilane
CID 166444052
[4-Bromo-3-(diethoxymethyl)-2,6-difluorophenyl]-trimethylsilane
CID 17987077
4-Bromo-2-fluoro-1-[1-(methoxymethoxy)pentyl]benzene
CID 19010737
2-[(2-Bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane
CID 58882978
[4-Bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane
CID 58961546
2-Bromo-5-trifluoromethyl-1-(methoxymethoxymethyl)benzene
CID 66704719
{3-[(4-Bromobenzyl)oxy]-2,2-difluoropropoxy}(t-butyl)dimethylsilane
CID 66717565
2-[1-(4-Bromo-2-fluoro-phenyl)-1-methyl-ethoxy]-tetrahydro-pyran
CID 67227652
1-Bromo-2-(2-(ethoxymethoxy)-1,3-difluoropropan-2-yl)-4-methylbenzene
CID 86685074

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane (CID 19707461) is 2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCOC(c1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is UPYLMAWVDTTZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF6O2Si/c1-25(2,3)9-8-23-10-24-13(14(17,18)19,15(20,21)22)11-4-6-12(16)7-5-11/h4-7H,8-10H2,1-3H3.
What are the key properties of 2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 453.29 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 19707461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).