[(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane

C12H16BrF3OSi — CID 16720772

IUPAC[(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
SMILESC[C@](O[Si](C)(C)C)(c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C12H16BrF3OSi/c1-11(12(14,15)16,17-18(2,3)4)9-6-5-7-10(13)8-9/h5-8H,1-4H3/t11-/m0/s1
InChIKeyBZULEFAFKPWRKI-NSHDSACASA-N
MW341.24 g/mol
LogP5.08
Rot. Bonds3

About [(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane

[(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane (PubChem CID 16720772) has the molecular formula C12H16BrF3OSi and a molecular weight of 341.24 g/mol. Its IUPAC name is [(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
PubChem CID16720772
Molecular FormulaC12H16BrF3OSi
Molecular Weight341.24 g/mol
Exact Mass340.01
IUPAC Name[(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
SMILESC[C@](O[Si](C)(C)C)(c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C12H16BrF3OSi/c1-11(12(14,15)16,17-18(2,3)4)9-6-5-7-10(13)8-9/h5-8H,1-4H3/t11-/m0/s1
InChIKeyBZULEFAFKPWRKI-NSHDSACASA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.24
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane?
The IUPAC name of [(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane (CID 16720772) is [(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane is C[C@](O[Si](C)(C)C)(c1cccc(Br)c1)C(F)(F)F.
What is the InChIKey of [(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane?
The InChIKey is BZULEFAFKPWRKI-NSHDSACASA-N. The full InChI is InChI=1S/C12H16BrF3OSi/c1-11(12(14,15)16,17-18(2,3)4)9-6-5-7-10(13)8-9/h5-8H,1-4H3/t11-/m0/s1.
What are the key properties of [(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane?
[(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane has a molecular weight of 341.24 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 16720772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).