(3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane

C11H13F13OSi — CID 173221085

IUPAC(3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane
SMILESCC(C)(O[SiH3])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F
InChIInChI=1S/C11H13F13OSi/c1-7(2,25-26)6(16)9(19,20)11(23,24)10(21,22)8(17,18)4(13)3(12)5(14)15/h3-6H,1-2,26H3
InChIKeySQFQDRQITBKJKC-UHFFFAOYSA-N
MW436.28 g/mol
LogP3.88
Rot. Bonds9

About (3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane

(3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane (PubChem CID 173221085) has the molecular formula C11H13F13OSi and a molecular weight of 436.28 g/mol. Its IUPAC name is (3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane.

Molecular Properties

Compound Name(3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane
PubChem CID173221085
Molecular FormulaC11H13F13OSi
Molecular Weight436.28 g/mol
Exact Mass436.05
IUPAC Name(3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane
SMILESCC(C)(O[SiH3])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F
InChIInChI=1S/C11H13F13OSi/c1-7(2,25-26)6(16)9(19,20)11(23,24)10(21,22)8(17,18)4(13)3(12)5(14)15/h3-6H,1-2,26H3
InChIKeySQFQDRQITBKJKC-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.28
LogP ≤ 53.88
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 (3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane?
The IUPAC name of (3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane (CID 173221085) is (3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane.
What is the SMILES notation for (3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane?
The canonical SMILES for (3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane is CC(C)(O[SiH3])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F.
What is the InChIKey of (3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane?
The InChIKey is SQFQDRQITBKJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F13OSi/c1-7(2,25-26)6(16)9(19,20)11(23,24)10(21,22)8(17,18)4(13)3(12)5(14)15/h3-6H,1-2,26H3.
What are the key properties of (3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane?
(3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane has a molecular weight of 436.28 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,4,5,5,6,6,7,7,8,9,10,10-tridecafluoro-2-methyldecan-2-yl)oxysilane is sourced from PubChem (CID 173221085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).