ethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane

C8H5F15Si — CID 158035981

IUPACethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane
SMILESCC[Si](F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F15Si/c1-2-24(23,7(19,20)3(9,10)5(13,14)15)8(21,22)4(11,12)6(16,17)18/h2H2,1H3
InChIKeyFHTBVLLIVQJVFY-UHFFFAOYSA-N
MW414.18 g/mol
LogP5.67
Rot. Bonds5

About ethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane

ethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane (PubChem CID 158035981) has the molecular formula C8H5F15Si and a molecular weight of 414.18 g/mol. Its IUPAC name is ethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane.

Molecular Properties

Compound Nameethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane
PubChem CID158035981
Molecular FormulaC8H5F15Si
Molecular Weight414.18 g/mol
Exact Mass413.99
IUPAC Nameethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane
SMILESCC[Si](F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F15Si/c1-2-24(23,7(19,20)3(9,10)5(13,14)15)8(21,22)4(11,12)6(16,17)18/h2H2,1H3
InChIKeyFHTBVLLIVQJVFY-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.18
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane?
The IUPAC name of ethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane (CID 158035981) is ethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane.
What is the SMILES notation for ethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane?
The canonical SMILES for ethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane is CC[Si](F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane?
The InChIKey is FHTBVLLIVQJVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F15Si/c1-2-24(23,7(19,20)3(9,10)5(13,14)15)8(21,22)4(11,12)6(16,17)18/h2H2,1H3.
What are the key properties of ethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane?
ethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane has a molecular weight of 414.18 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-fluoro-bis(1,1,2,2,3,3,3-heptafluoropropyl)silane is sourced from PubChem (CID 158035981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).