3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane

C15H17F17OSi — CID 175447972

IUPAC3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane
SMILESCC(O[SiH3])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C15H17F17OSi/c1-2(33-34)10(23)13(27,28)15(31,32)14(29,30)11(24)8(21)6(19)4(17)3(16)5(18)7(20)9(22)12(25)26/h2-12H,1,34H3
InChIKeyXLCWVKDJSUKHJG-UHFFFAOYSA-N
MW564.35 g/mol
LogP4.89
Rot. Bonds14

About 3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane

3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane (PubChem CID 175447972) has the molecular formula C15H17F17OSi and a molecular weight of 564.35 g/mol. Its IUPAC name is 3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane.

Molecular Properties

Compound Name3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane
PubChem CID175447972
Molecular FormulaC15H17F17OSi
Molecular Weight564.35 g/mol
Exact Mass564.08
IUPAC Name3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane
SMILESCC(O[SiH3])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C15H17F17OSi/c1-2(33-34)10(23)13(27,28)15(31,32)14(29,30)11(24)8(21)6(19)4(17)3(16)5(18)7(20)9(22)12(25)26/h2-12H,1,34H3
InChIKeyXLCWVKDJSUKHJG-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.35
LogP ≤ 54.89
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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Related Compounds

1,1,1,3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-icosafluoropentadecan-2-yl(trimethoxy)silane
CID 175026560
1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane
CID 18504293
potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate
CID 134206791
1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane
CID 174239213
fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate
CID 174997199
1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate;tetraethylazanium
CID 134207049
triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane
CID 175239862
1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol
CID 18676336
1,1,2,2,3,3,4,4,5,6,7,7-dodecafluoroheptane-1-thiol
CID 175037264
lithium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,11,12,12-icosafluorododecane-1-sulfonate
CID 134207622
potassium 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-hexadecafluorodecane-1-sulfonate
CID 134206568
lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate
CID 134207102

Frequently Asked Questions

What is the IUPAC name of 3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane?
The IUPAC name of 3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane (CID 175447972) is 3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane.
What is the SMILES notation for 3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane?
The canonical SMILES for 3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane is CC(O[SiH3])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)F.
What is the InChIKey of 3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane?
The InChIKey is XLCWVKDJSUKHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F17OSi/c1-2(33-34)10(23)13(27,28)15(31,32)14(29,30)11(24)8(21)6(19)4(17)3(16)5(18)7(20)9(22)12(25)26/h2-12H,1,34H3.
What are the key properties of 3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane?
3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane has a molecular weight of 564.35 g/mol, XLogP of 4.89, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane is sourced from PubChem (CID 175447972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).