tert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane

C14H30FIOSi — CID 139650853

IUPACtert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)C(F)CI
InChIInChI=1S/C14H30FIOSi/c1-7-8-9-10-13(12(15)11-16)17-18(5,6)14(2,3)4/h12-13H,7-11H2,1-6H3/t12?,13-/m0/s1
InChIKeyDLYORUZFTYKCGQ-ABLWVSNPSA-N
MW388.38 g/mol
LogP5.73
Rot. Bonds8

About tert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane (PubChem CID 139650853) has the molecular formula C14H30FIOSi and a molecular weight of 388.38 g/mol. Its IUPAC name is tert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane
PubChem CID139650853
Molecular FormulaC14H30FIOSi
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Nametert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)C(F)CI
InChIInChI=1S/C14H30FIOSi/c1-7-8-9-10-13(12(15)11-16)17-18(5,6)14(2,3)4/h12-13H,7-11H2,1-6H3/t12?,13-/m0/s1
InChIKeyDLYORUZFTYKCGQ-ABLWVSNPSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.38
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Iodo-2-trimethylsiloxycyclododecane
CID 12624042
Tert-butyl-dimethyl-(7,7,8,8,8-pentafluoro-5-iodooctoxy)silane
CID 140292478
Tert-butyl-dimethyl-(7,7,7-trifluoro-5-iodoheptoxy)silane
CID 140292480
Tert-butyl-(7,7,8,8,9,9,9-heptafluoro-5-iodononoxy)-dimethylsilane
CID 140292647
(4,4-Difluoro-1-iodooctan-3-yl)oxy-trimethylsilane
CID 149732849
(4,4-Difluoro-1-iodooctan-3-yl)oxy-triethylsilane
CID 152485005
tert-butyl-[(4R)-1-iodononan-4-yl]oxy-dimethylsilane
CID 101808239
tert-butyl-[(2R,5R)-5-iodohexan-2-yl]oxy-dimethylsilane
CID 122231957
tert-butyl-[(2R,5S)-5-iodohexan-2-yl]oxy-dimethylsilane
CID 122231959
(2-Iodocycloundecyl)oxy-trimethylsilane
CID 134877445
Tert-butyl-dimethyl-(1,1,1-trifluorononan-2-yloxy)silane
CID 85763620
Tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane
CID 10462015

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane (CID 139650853) is tert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane is CCCCC[C@H](O[Si](C)(C)C(C)(C)C)C(F)CI.
What is the InChIKey of tert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane?
The InChIKey is DLYORUZFTYKCGQ-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H30FIOSi/c1-7-8-9-10-13(12(15)11-16)17-18(5,6)14(2,3)4/h12-13H,7-11H2,1-6H3/t12?,13-/m0/s1.
What are the key properties of tert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane has a molecular weight of 388.38 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 139650853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).