[1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane

C12H14BrF5OSi — CID 166445362

IUPAC[1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccc(Br)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14BrF5OSi/c1-20(2,3)19-10(11(14,15)12(16,17)18)8-4-6-9(13)7-5-8/h4-7,10H,1-3H3
InChIKeyPENCDDCXCCDUOB-UHFFFAOYSA-N
MW377.22 g/mol
LogP5.54
Rot. Bonds4

About [1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane

[1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane (PubChem CID 166445362) has the molecular formula C12H14BrF5OSi and a molecular weight of 377.22 g/mol. Its IUPAC name is [1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane
PubChem CID166445362
Molecular FormulaC12H14BrF5OSi
Molecular Weight377.22 g/mol
Exact Mass375.99
IUPAC Name[1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccc(Br)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14BrF5OSi/c1-20(2,3)19-10(11(14,15)12(16,17)18)8-4-6-9(13)7-5-8/h4-7,10H,1-3H3
InChIKeyPENCDDCXCCDUOB-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.22
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-Bromobenzyloxy)trimethylsilane
CID 598201
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
1-(4-Bromophenyl)-2,2,2-trifluoroethanol
CID 11219024
(Perfluorobutyl)-4-bromophenylmethanol
CID 46217842
1-(4-Bromophenyl)-3,3,3-trifluoropropan-1-ol
CID 53534944
(1S)-1-(4-bromophenyl)-2,2-difluoroethan-1-ol
CID 69269398
1-(4-Bromophenyl)-2,2-difluoroethan-1-ol
CID 15942204
2,2,2-Trifluoro-1-phenylethyl trimethylsilyl ether
CID 11218868
1-bromo-4-[(1R)-1-methoxyethyl]benzene
CID 51534482
Benzenemethanol, 4-bromo-alpha-(difluoromethyl)-, (alphaR)-
CID 67288395
1-(4-Bromo-2,3-difluorophenyl)-3-methylbutan-1-ol
CID 90683050
(4-Bromo-2,3,5,6-tetrafluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 101844102

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane?
The IUPAC name of [1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane (CID 166445362) is [1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane.
What is the SMILES notation for [1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane?
The canonical SMILES for [1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane is C[Si](C)(C)OC(c1ccc(Br)cc1)C(F)(F)C(F)(F)F.
What is the InChIKey of [1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane?
The InChIKey is PENCDDCXCCDUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF5OSi/c1-20(2,3)19-10(11(14,15)12(16,17)18)8-4-6-9(13)7-5-8/h4-7,10H,1-3H3.
What are the key properties of [1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane?
[1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane has a molecular weight of 377.22 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane is sourced from PubChem (CID 166445362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).