[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane

C13H11F17OSi — CID 175094028

IUPAC[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1([SiH3])CCCCO1
InChIInChI=1S/C13H11F17OSi/c14-6(15,5(32)3-1-2-4-31-5)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h1-4H2,32H3
InChIKeyZAPWJDZQCLIUDC-UHFFFAOYSA-N
MW534.28 g/mol
LogP5.26
Rot. Bonds7

About [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane

[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane (PubChem CID 175094028) has the molecular formula C13H11F17OSi and a molecular weight of 534.28 g/mol. Its IUPAC name is [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane.

Molecular Properties

Compound Name[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane
PubChem CID175094028
Molecular FormulaC13H11F17OSi
Molecular Weight534.28 g/mol
Exact Mass534.03
IUPAC Name[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1([SiH3])CCCCO1
InChIInChI=1S/C13H11F17OSi/c14-6(15,5(32)3-1-2-4-31-5)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h1-4H2,32H3
InChIKeyZAPWJDZQCLIUDC-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.28
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane?
The IUPAC name of [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane (CID 175094028) is [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane.
What is the SMILES notation for [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane?
The canonical SMILES for [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1([SiH3])CCCCO1.
What is the InChIKey of [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane?
The InChIKey is ZAPWJDZQCLIUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F17OSi/c14-6(15,5(32)3-1-2-4-31-5)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h1-4H2,32H3.
What are the key properties of [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane?
[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane has a molecular weight of 534.28 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxan-2-yl]silane is sourced from PubChem (CID 175094028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).