chloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane

C6H10ClF5Si — CID 44717564

IUPACchloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane
SMILESC[Si](C)(Cl)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H10ClF5Si/c1-13(2,7)4-3-5(8,9)6(10,11)12/h3-4H2,1-2H3
InChIKeyGMSMETLEXHMNHL-UHFFFAOYSA-N
MW240.67 g/mol
LogP4.02
Rot. Bonds3

About chloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane

chloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane (PubChem CID 44717564) has the molecular formula C6H10ClF5Si and a molecular weight of 240.67 g/mol. Its IUPAC name is chloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane.

Molecular Properties

Compound Namechloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane
PubChem CID44717564
Molecular FormulaC6H10ClF5Si
Molecular Weight240.67 g/mol
Exact Mass240.02
IUPAC Namechloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane
SMILESC[Si](C)(Cl)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H10ClF5Si/c1-13(2,7)4-3-5(8,9)6(10,11)12/h3-4H2,1-2H3
InChIKeyGMSMETLEXHMNHL-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 54.02
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 chloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane?
The IUPAC name of chloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane (CID 44717564) is chloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane.
What is the SMILES notation for chloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane?
The canonical SMILES for chloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane is C[Si](C)(Cl)CCC(F)(F)C(F)(F)F.
What is the InChIKey of chloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane?
The InChIKey is GMSMETLEXHMNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF5Si/c1-13(2,7)4-3-5(8,9)6(10,11)12/h3-4H2,1-2H3.
What are the key properties of chloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane?
chloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane has a molecular weight of 240.67 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-(3,3,4,4,4-pentafluorobutyl)silane is sourced from PubChem (CID 44717564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).