dichloro-methyl-(3,3,3-trifluoropropyl)silane

C8H14Cl4F6Si2 — CID 159011444

IUPACdichloro-methyl-(3,3,3-trifluoropropyl)silane
SMILESC[Si](Cl)(Cl)CCC(F)(F)F.C[Si](Cl)(Cl)CCC(F)(F)F
InChIInChI=1S/2C4H7Cl2F3Si/c2*1-10(5,6)3-2-4(7,8)9/h2*2-3H2,1H3
InChIKeyJSNQZWSEJFNHOE-UHFFFAOYSA-N
MW422.17 g/mol
LogP6.98
Rot. Bonds4

About dichloro-methyl-(3,3,3-trifluoropropyl)silane

dichloro-methyl-(3,3,3-trifluoropropyl)silane (PubChem CID 159011444) has the molecular formula C8H14Cl4F6Si2 and a molecular weight of 422.17 g/mol. Its IUPAC name is dichloro-methyl-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namedichloro-methyl-(3,3,3-trifluoropropyl)silane
PubChem CID159011444
Molecular FormulaC8H14Cl4F6Si2
Molecular Weight422.17 g/mol
Exact Mass419.93
IUPAC Namedichloro-methyl-(3,3,3-trifluoropropyl)silane
SMILESC[Si](Cl)(Cl)CCC(F)(F)F.C[Si](Cl)(Cl)CCC(F)(F)F
InChIInChI=1S/2C4H7Cl2F3Si/c2*1-10(5,6)3-2-4(7,8)9/h2*2-3H2,1H3
InChIKeyJSNQZWSEJFNHOE-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.17
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-(3,3,3-trifluoropropyl)silane?
The IUPAC name of dichloro-methyl-(3,3,3-trifluoropropyl)silane (CID 159011444) is dichloro-methyl-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for dichloro-methyl-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for dichloro-methyl-(3,3,3-trifluoropropyl)silane is C[Si](Cl)(Cl)CCC(F)(F)F.C[Si](Cl)(Cl)CCC(F)(F)F.
What is the InChIKey of dichloro-methyl-(3,3,3-trifluoropropyl)silane?
The InChIKey is JSNQZWSEJFNHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7Cl2F3Si/c2*1-10(5,6)3-2-4(7,8)9/h2*2-3H2,1H3.
What are the key properties of dichloro-methyl-(3,3,3-trifluoropropyl)silane?
dichloro-methyl-(3,3,3-trifluoropropyl)silane has a molecular weight of 422.17 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methyl-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 159011444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).