3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane

C12H15F13OSi — CID 59112329

IUPAC3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane
SMILESCO[Si](CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F13OSi/c1-26-27(6-3-9(15,16)17,7-4-10(18,19)20)5-2-8(13,14)11(21,22)12(23,24)25/h2-7H2,1H3
InChIKeyHGBSFYSWOXVUQC-UHFFFAOYSA-N
MW450.31 g/mol
LogP6.71
Rot. Bonds9

About 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane

3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane (PubChem CID 59112329) has the molecular formula C12H15F13OSi and a molecular weight of 450.31 g/mol. Its IUPAC name is 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Name3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane
PubChem CID59112329
Molecular FormulaC12H15F13OSi
Molecular Weight450.31 g/mol
Exact Mass450.07
IUPAC Name3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane
SMILESCO[Si](CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F13OSi/c1-26-27(6-3-9(15,16)17,7-4-10(18,19)20)5-2-8(13,14)11(21,22)12(23,24)25/h2-7H2,1H3
InChIKeyHGBSFYSWOXVUQC-UHFFFAOYSA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.31
LogP ≤ 56.71
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 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane?
The IUPAC name of 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane (CID 59112329) is 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane?
The canonical SMILES for 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane is CO[Si](CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane?
The InChIKey is HGBSFYSWOXVUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F13OSi/c1-26-27(6-3-9(15,16)17,7-4-10(18,19)20)5-2-8(13,14)11(21,22)12(23,24)25/h2-7H2,1H3.
What are the key properties of 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane?
3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane has a molecular weight of 450.31 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-bis(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 59112329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).