dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane

C6H7Cl2F7Si — CID 88685115

IUPACdichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane
SMILESC[Si](Cl)(Cl)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C6H7Cl2F7Si/c1-16(7,8)6(14,15)4(9,10)2-3-5(11,12)13/h2-3H2,1H3
InChIKeyWWAUWWYCNBROND-UHFFFAOYSA-N
MW311.10 g/mol
LogP4.69
Rot. Bonds4

About dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane

dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane (PubChem CID 88685115) has the molecular formula C6H7Cl2F7Si and a molecular weight of 311.10 g/mol. Its IUPAC name is dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane.

Molecular Properties

Compound Namedichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane
PubChem CID88685115
Molecular FormulaC6H7Cl2F7Si
Molecular Weight311.10 g/mol
Exact Mass309.96
IUPAC Namedichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane
SMILESC[Si](Cl)(Cl)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C6H7Cl2F7Si/c1-16(7,8)6(14,15)4(9,10)2-3-5(11,12)13/h2-3H2,1H3
InChIKeyWWAUWWYCNBROND-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 54.69
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 dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane?
The IUPAC name of dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane (CID 88685115) is dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane.
What is the SMILES notation for dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane?
The canonical SMILES for dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane is C[Si](Cl)(Cl)C(F)(F)C(F)(F)CCC(F)(F)F.
What is the InChIKey of dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane?
The InChIKey is WWAUWWYCNBROND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2F7Si/c1-16(7,8)6(14,15)4(9,10)2-3-5(11,12)13/h2-3H2,1H3.
What are the key properties of dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane?
dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane has a molecular weight of 311.10 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane is sourced from PubChem (CID 88685115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).