trichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane

C6H7Cl3F6Si — CID 154137366

IUPACtrichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane
SMILESFC(F)(F)CCC(C[Si](Cl)(Cl)Cl)C(F)(F)F
InChIInChI=1S/C6H7Cl3F6Si/c7-16(8,9)3-4(6(13,14)15)1-2-5(10,11)12/h4H,1-3H2
InChIKeyRKTFPUDLLPMFMU-UHFFFAOYSA-N
MW327.56 g/mol
LogP5.16
Rot. Bonds4

About trichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane

trichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane (PubChem CID 154137366) has the molecular formula C6H7Cl3F6Si and a molecular weight of 327.56 g/mol. Its IUPAC name is trichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane.

Molecular Properties

Compound Nametrichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane
PubChem CID154137366
Molecular FormulaC6H7Cl3F6Si
Molecular Weight327.56 g/mol
Exact Mass325.93
IUPAC Nametrichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane
SMILESFC(F)(F)CCC(C[Si](Cl)(Cl)Cl)C(F)(F)F
InChIInChI=1S/C6H7Cl3F6Si/c7-16(8,9)3-4(6(13,14)15)1-2-5(10,11)12/h4H,1-3H2
InChIKeyRKTFPUDLLPMFMU-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 55.16
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 trichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane?
The IUPAC name of trichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane (CID 154137366) is trichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane.
What is the SMILES notation for trichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane?
The canonical SMILES for trichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane is FC(F)(F)CCC(C[Si](Cl)(Cl)Cl)C(F)(F)F.
What is the InChIKey of trichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane?
The InChIKey is RKTFPUDLLPMFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl3F6Si/c7-16(8,9)3-4(6(13,14)15)1-2-5(10,11)12/h4H,1-3H2.
What are the key properties of trichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane?
trichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane has a molecular weight of 327.56 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[5,5,5-trifluoro-2-(trifluoromethyl)pentyl]silane is sourced from PubChem (CID 154137366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).