tert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane

C9H20FIOSi — CID 167494901

IUPACtert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H](F)CI
InChIInChI=1S/C9H20FIOSi/c1-9(2,3)13(4,5)12-7-8(10)6-11/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyPYTFBOQQRVVSDM-MRVPVSSYSA-N
MW318.25 g/mol
LogP3.78
Rot. Bonds4

About tert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane

tert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane (PubChem CID 167494901) has the molecular formula C9H20FIOSi and a molecular weight of 318.25 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane
PubChem CID167494901
Molecular FormulaC9H20FIOSi
Molecular Weight318.25 g/mol
Exact Mass318.03
IUPAC Nametert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H](F)CI
InChIInChI=1S/C9H20FIOSi/c1-9(2,3)13(4,5)12-7-8(10)6-11/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyPYTFBOQQRVVSDM-MRVPVSSYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane (CID 167494901) is tert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H](F)CI.
What is the InChIKey of tert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane?
The InChIKey is PYTFBOQQRVVSDM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20FIOSi/c1-9(2,3)13(4,5)12-7-8(10)6-11/h8H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of tert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane?
tert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane has a molecular weight of 318.25 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-fluoro-3-iodopropoxy]-dimethylsilane is sourced from PubChem (CID 167494901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).