tert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane

C12H24FIOSi — CID 91865889

IUPACtert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](CI)C[C@H]1F
InChIInChI=1S/C12H24FIOSi/c1-12(2,3)16(4,5)15-11-7-9(8-14)6-10(11)13/h9-11H,6-8H2,1-5H3/t9-,10-,11+/m1/s1
InChIKeyUJJIZGQILVQZLO-MXWKQRLJSA-N
MW358.31 g/mol
LogP4.56
Rot. Bonds3

About tert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane

tert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane (PubChem CID 91865889) has the molecular formula C12H24FIOSi and a molecular weight of 358.31 g/mol. Its IUPAC name is tert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane
PubChem CID91865889
Molecular FormulaC12H24FIOSi
Molecular Weight358.31 g/mol
Exact Mass358.06
IUPAC Nametert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](CI)C[C@H]1F
InChIInChI=1S/C12H24FIOSi/c1-12(2,3)16(4,5)15-11-7-9(8-14)6-10(11)13/h9-11H,6-8H2,1-5H3/t9-,10-,11+/m1/s1
InChIKeyUJJIZGQILVQZLO-MXWKQRLJSA-N
XLogP4.56
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 ≤ 54.56
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-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane (CID 91865889) is tert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](CI)C[C@H]1F.
What is the InChIKey of tert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane?
The InChIKey is UJJIZGQILVQZLO-MXWKQRLJSA-N. The full InChI is InChI=1S/C12H24FIOSi/c1-12(2,3)16(4,5)15-11-7-9(8-14)6-10(11)13/h9-11H,6-8H2,1-5H3/t9-,10-,11+/m1/s1.
What are the key properties of tert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane?
tert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane has a molecular weight of 358.31 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2R,4S)-2-fluoro-4-(iodomethyl)cyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 91865889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).