tert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane

C10H20F3IOSi — CID 10619002

IUPACtert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCI)C(F)(F)F
InChIInChI=1S/C10H20F3IOSi/c1-9(2,3)16(4,5)15-8(6-7-14)10(11,12)13/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyDQKUOUJXHQGWIN-QMMMGPOBSA-N
MW368.25 g/mol
LogP4.76
Rot. Bonds4

About tert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane

tert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane (PubChem CID 10619002) has the molecular formula C10H20F3IOSi and a molecular weight of 368.25 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane
PubChem CID10619002
Molecular FormulaC10H20F3IOSi
Molecular Weight368.25 g/mol
Exact Mass368.03
IUPAC Nametert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CCI)C(F)(F)F
InChIInChI=1S/C10H20F3IOSi/c1-9(2,3)16(4,5)15-8(6-7-14)10(11,12)13/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyDQKUOUJXHQGWIN-QMMMGPOBSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 54.76
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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Related Compounds

tert-Butyl((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)dimethylsilane
CID 91697407
Tert-butyl-(4,4-difluoro-4-iodobutoxy)-dimethylsilane
CID 177849977
tert-butyl ((S)-3-iodo-1-methylpropoxy)dimethylsilane
CID 10946949
Dimethyl-propan-2-yloxy-(1,1,2-trifluoropropyl)silane
CID 89420746
Dimethyl-propan-2-yloxy-(3,3,3-trifluoropropyl)silane
CID 89420747
Dimethyl-propan-2-yloxy-(2,3,3-trifluoropropyl)silane
CID 89420748
Tert-butyl-(2-fluoro-3-iodopropoxy)-dimethylsilane
CID 167494870
(S)-tert-Butyl(2-fluoro-3-iodopropoxy)dimethylsilane
CID 167494901
Methyl-propan-2-yl-propan-2-yloxy-(3,3,3-trifluoropropyl)silane
CID 170524117
[3-Methyl-3-[methyl(3,3,3-trifluoropropyl)silyl]butan-2-yl] hypoiodite
CID 173682018
tert-butyl((R)-3-iodo-1-methylpropoxy)dimethylsilane
CID 11823164
Tert-butyl(2,2-difluorocyclopropoxy)dimethylsilane
CID 132353692

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane (CID 10619002) is tert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane is CC(C)(C)[Si](C)(C)O[C@@H](CCI)C(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane?
The InChIKey is DQKUOUJXHQGWIN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20F3IOSi/c1-9(2,3)16(4,5)15-8(6-7-14)10(11,12)13/h8H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane has a molecular weight of 368.25 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-1,1,1-trifluoro-4-iodobutan-2-yl]oxysilane is sourced from PubChem (CID 10619002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).