5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol

C8H17F3O3SSi — CID 87125331

IUPAC5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol
SMILESCO[Si](OC)(OC)C(C)(S)CCC(F)(F)F
InChIInChI=1S/C8H17F3O3SSi/c1-7(15,5-6-8(9,10)11)16(12-2,13-3)14-4/h15H,5-6H2,1-4H3
InChIKeyRMPDHEYJUDJTMY-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.43
Rot. Bonds6

About 5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol

5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol (PubChem CID 87125331) has the molecular formula C8H17F3O3SSi and a molecular weight of 278.37 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol.

Molecular Properties

Compound Name5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol
PubChem CID87125331
Molecular FormulaC8H17F3O3SSi
Molecular Weight278.37 g/mol
Exact Mass278.06
IUPAC Name5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol
SMILESCO[Si](OC)(OC)C(C)(S)CCC(F)(F)F
InChIInChI=1S/C8H17F3O3SSi/c1-7(15,5-6-8(9,10)11)16(12-2,13-3)14-4/h15H,5-6H2,1-4H3
InChIKeyRMPDHEYJUDJTMY-UHFFFAOYSA-N
XLogP2.43
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol?
The IUPAC name of 5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol (CID 87125331) is 5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol.
What is the SMILES notation for 5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol?
The canonical SMILES for 5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol is CO[Si](OC)(OC)C(C)(S)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol?
The InChIKey is RMPDHEYJUDJTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3O3SSi/c1-7(15,5-6-8(9,10)11)16(12-2,13-3)14-4/h15H,5-6H2,1-4H3.
What are the key properties of 5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol?
5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol has a molecular weight of 278.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-trimethoxysilylpentane-2-thiol is sourced from PubChem (CID 87125331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).