dichloro-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane

C5H7Cl2F5Si — CID 13222399

IUPACdichloro-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane
SMILESCC(C(F)(F)C(F)(F)F)[Si](C)(Cl)Cl
InChIInChI=1S/C5H7Cl2F5Si/c1-3(13(2,6)7)4(8,9)5(10,11)12/h3H,1-2H3
InChIKeyLOIXJQAXDZXOON-UHFFFAOYSA-N
MW261.09 g/mol
LogP4.12
Rot. Bonds2

About dichloro-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane

dichloro-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane (PubChem CID 13222399) has the molecular formula C5H7Cl2F5Si and a molecular weight of 261.09 g/mol. Its IUPAC name is dichloro-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane.

Molecular Properties

Compound Namedichloro-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane
PubChem CID13222399
Molecular FormulaC5H7Cl2F5Si
Molecular Weight261.09 g/mol
Exact Mass259.96
IUPAC Namedichloro-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane
SMILESCC(C(F)(F)C(F)(F)F)[Si](C)(Cl)Cl
InChIInChI=1S/C5H7Cl2F5Si/c1-3(13(2,6)7)4(8,9)5(10,11)12/h3H,1-2H3
InChIKeyLOIXJQAXDZXOON-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 54.12
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-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane?
The IUPAC name of dichloro-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane (CID 13222399) is dichloro-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane.
What is the SMILES notation for dichloro-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane?
The canonical SMILES for dichloro-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane is CC(C(F)(F)C(F)(F)F)[Si](C)(Cl)Cl.
What is the InChIKey of dichloro-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane?
The InChIKey is LOIXJQAXDZXOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl2F5Si/c1-3(13(2,6)7)4(8,9)5(10,11)12/h3H,1-2H3.
What are the key properties of dichloro-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane?
dichloro-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane has a molecular weight of 261.09 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methyl-(3,3,4,4,4-pentafluorobutan-2-yl)silane is sourced from PubChem (CID 13222399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).