(2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane

C7H9F7O2Si — CID 71395773

IUPAC(2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane
SMILESC[Si](C)(C)C1(F)OC(F)(F)C(F)(F)OC1(F)F
InChIInChI=1S/C7H9F7O2Si/c1-17(2,3)7(14)6(12,13)15-4(8,9)5(10,11)16-7/h1-3H3
InChIKeyXRMQMHJENHEHPM-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.35
Rot. Bonds1

About (2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane

(2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane (PubChem CID 71395773) has the molecular formula C7H9F7O2Si and a molecular weight of 286.22 g/mol. Its IUPAC name is (2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane
PubChem CID71395773
Molecular FormulaC7H9F7O2Si
Molecular Weight286.22 g/mol
Exact Mass286.03
IUPAC Name(2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane
SMILESC[Si](C)(C)C1(F)OC(F)(F)C(F)(F)OC1(F)F
InChIInChI=1S/C7H9F7O2Si/c1-17(2,3)7(14)6(12,13)15-4(8,9)5(10,11)16-7/h1-3H3
InChIKeyXRMQMHJENHEHPM-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

methane;2,2,3,3-tetrafluorooxirane
CID 174885785
2,2,4,4,5,5,7,7,8,8,10,10,11,11,13,13,14,14,16,16,17,17,19,19,20,20-hexacosafluoro-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 86282027
2,2,3-trifluoro-3-methyloxirane
CID 22289961
(1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
CID 14892283
(1S,15S)-1,3,3,4,4,6,6,7,7,9,9,10,10,12,12,13,13,15,16,16,17,17,18,18,19,19-hexacosafluoro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane
CID 14921076
2,2,3,3,4,5,5,6,6-nonafluorooxane
CID 73057419
2,2,4,4,5-pentafluoro-5-methyl-1,3-dioxolane
CID 19745411
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
2,2,3,3,5,5-hexafluoro-1,4-dioxane
CID 11194916
trimethyl-[2,3,4-tris(trimethylsilyl)-1-tricyclo[1.1.0.02,4]butanyl]silane
CID 139120144
N-methylgallanylmethanamine
CID 157477091
(2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane
CID 173148599

Frequently Asked Questions

What is the IUPAC name of (2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane?
The IUPAC name of (2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane (CID 71395773) is (2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane.
What is the SMILES notation for (2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane?
The canonical SMILES for (2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane is C[Si](C)(C)C1(F)OC(F)(F)C(F)(F)OC1(F)F.
What is the InChIKey of (2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane?
The InChIKey is XRMQMHJENHEHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7O2Si/c1-17(2,3)7(14)6(12,13)15-4(8,9)5(10,11)16-7/h1-3H3.
What are the key properties of (2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane?
(2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane has a molecular weight of 286.22 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,3,5,5,6,6-heptafluoro-1,4-dioxan-2-yl)-trimethylsilane is sourced from PubChem (CID 71395773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).