tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane

C23H30FIO3Si — CID 70364149

IUPACtert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane
SMILESCO[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](F)[C@@H](CI)O1
InChIInChI=1S/C23H30FIO3Si/c1-23(2,3)29(17-11-7-5-8-12-17,18-13-9-6-10-14-18)28-19-15-21(26-4)27-20(16-25)22(19)24/h5-14,19-22H,15-16H2,1-4H3/t19-,20+,21-,22+/m0/s1
InChIKeyJTIVMXMVFUICOW-LNRXMEIDSA-N
MW528.48 g/mol
LogP4.47
Rot. Bonds6

About tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane

tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane (PubChem CID 70364149) has the molecular formula C23H30FIO3Si and a molecular weight of 528.48 g/mol. Its IUPAC name is tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane
PubChem CID70364149
Molecular FormulaC23H30FIO3Si
Molecular Weight528.48 g/mol
Exact Mass528.10
IUPAC Nametert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane
SMILESCO[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](F)[C@@H](CI)O1
InChIInChI=1S/C23H30FIO3Si/c1-23(2,3)29(17-11-7-5-8-12-17,18-13-9-6-10-14-18)28-19-15-21(26-4)27-20(16-25)22(19)24/h5-14,19-22H,15-16H2,1-4H3/t19-,20+,21-,22+/m0/s1
InChIKeyJTIVMXMVFUICOW-LNRXMEIDSA-N
XLogP4.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane (CID 70364149) is tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane is CO[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](F)[C@@H](CI)O1.
What is the InChIKey of tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane?
The InChIKey is JTIVMXMVFUICOW-LNRXMEIDSA-N. The full InChI is InChI=1S/C23H30FIO3Si/c1-23(2,3)29(17-11-7-5-8-12-17,18-13-9-6-10-14-18)28-19-15-21(26-4)27-20(16-25)22(19)24/h5-14,19-22H,15-16H2,1-4H3/t19-,20+,21-,22+/m0/s1.
What are the key properties of tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane?
tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane has a molecular weight of 528.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane is sourced from PubChem (CID 70364149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).