trichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane

C5H4Cl3F7Si — CID 22002749

IUPACtrichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane
SMILESFC(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C5H4Cl3F7Si/c6-16(7,8)2-1-3(9,10)4(11,12)5(13,14)15/h1-2H2
InChIKeyHPQDRJIVNDILHK-UHFFFAOYSA-N
MW331.52 g/mol
LogP4.86
Rot. Bonds4

About trichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane

trichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane (PubChem CID 22002749) has the molecular formula C5H4Cl3F7Si and a molecular weight of 331.52 g/mol. Its IUPAC name is trichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane.

Molecular Properties

Compound Nametrichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane
PubChem CID22002749
Molecular FormulaC5H4Cl3F7Si
Molecular Weight331.52 g/mol
Exact Mass329.90
IUPAC Nametrichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane
SMILESFC(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C5H4Cl3F7Si/c6-16(7,8)2-1-3(9,10)4(11,12)5(13,14)15/h1-2H2
InChIKeyHPQDRJIVNDILHK-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.52
LogP ≤ 54.86
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 trichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane?
The IUPAC name of trichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane (CID 22002749) is trichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane.
What is the SMILES notation for trichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane?
The canonical SMILES for trichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane is FC(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane?
The InChIKey is HPQDRJIVNDILHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl3F7Si/c6-16(7,8)2-1-3(9,10)4(11,12)5(13,14)15/h1-2H2.
What are the key properties of trichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane?
trichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane has a molecular weight of 331.52 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(3,3,4,4,5,5,5-heptafluoropentyl)silane is sourced from PubChem (CID 22002749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).