tert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane

C12H24FIOSi — CID 11405653

IUPACtert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(F)CC[C@H](I)C1
InChIInChI=1S/C12H24FIOSi/c1-11(2,3)16(4,5)15-9-12(13)7-6-10(14)8-12/h10H,6-9H2,1-5H3/t10-,12+/m0/s1
InChIKeyBDAPUJZYHDNDPH-CMPLNLGQSA-N
MW358.31 g/mol
LogP4.70
Rot. Bonds3

About tert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane

tert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane (PubChem CID 11405653) has the molecular formula C12H24FIOSi and a molecular weight of 358.31 g/mol. Its IUPAC name is tert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane
PubChem CID11405653
Molecular FormulaC12H24FIOSi
Molecular Weight358.31 g/mol
Exact Mass358.06
IUPAC Nametert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(F)CC[C@H](I)C1
InChIInChI=1S/C12H24FIOSi/c1-11(2,3)16(4,5)15-9-12(13)7-6-10(14)8-12/h10H,6-9H2,1-5H3/t10-,12+/m0/s1
InChIKeyBDAPUJZYHDNDPH-CMPLNLGQSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 54.70
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-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane (CID 11405653) is tert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@]1(F)CC[C@H](I)C1.
What is the InChIKey of tert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane?
The InChIKey is BDAPUJZYHDNDPH-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H24FIOSi/c1-11(2,3)16(4,5)15-9-12(13)7-6-10(14)8-12/h10H,6-9H2,1-5H3/t10-,12+/m0/s1.
What are the key properties of tert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane?
tert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane has a molecular weight of 358.31 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,3S)-1-fluoro-3-iodocyclopentyl]methoxy]-dimethylsilane is sourced from PubChem (CID 11405653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).