(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane

C9H9F13OSi — CID 173476618

IUPAC(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane
SMILESCC(CO[SiH3])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F13OSi/c1-3(2-23-24)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2H2,1,24H3
InChIKeyRSRMHPNGDOPSJK-UHFFFAOYSA-N
MW408.23 g/mol
LogP3.66
Rot. Bonds7

About (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane

(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane (PubChem CID 173476618) has the molecular formula C9H9F13OSi and a molecular weight of 408.23 g/mol. Its IUPAC name is (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane.

Molecular Properties

Compound Name(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane
PubChem CID173476618
Molecular FormulaC9H9F13OSi
Molecular Weight408.23 g/mol
Exact Mass408.02
IUPAC Name(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane
SMILESCC(CO[SiH3])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F13OSi/c1-3(2-23-24)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2H2,1,24H3
InChIKeyRSRMHPNGDOPSJK-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.23
LogP ≤ 53.66
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

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CID 173221085
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CID 173228702
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CID 173228703
CID 173228703
CID 173249365
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CID 173312369
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Frequently Asked Questions

What is the IUPAC name of (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane?
The IUPAC name of (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane (CID 173476618) is (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane.
What is the SMILES notation for (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane?
The canonical SMILES for (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane is CC(CO[SiH3])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane?
The InChIKey is RSRMHPNGDOPSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F13OSi/c1-3(2-23-24)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2H2,1,24H3.
What are the key properties of (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane?
(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane has a molecular weight of 408.23 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctoxy)silane is sourced from PubChem (CID 173476618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).