1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide

C9H11Cl3F3NO2SSi — CID 59017049

IUPAC1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1CC2C=C([Si](Cl)(Cl)Cl)C1C2)C(F)(F)F
InChIInChI=1S/C9H11Cl3F3NO2SSi/c10-20(11,12)8-3-5-1-6(7(8)2-5)4-16-19(17,18)9(13,14)15/h3,5-7,16H,1-2,4H2
InChIKeyZRJHZNBGPNTPPN-UHFFFAOYSA-N
MW388.70 g/mol
LogP3.20
Rot. Bonds4

About 1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide

1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide (PubChem CID 59017049) has the molecular formula C9H11Cl3F3NO2SSi and a molecular weight of 388.70 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide
PubChem CID59017049
Molecular FormulaC9H11Cl3F3NO2SSi
Molecular Weight388.70 g/mol
Exact Mass386.93
IUPAC Name1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1CC2C=C([Si](Cl)(Cl)Cl)C1C2)C(F)(F)F
InChIInChI=1S/C9H11Cl3F3NO2SSi/c10-20(11,12)8-3-5-1-6(7(8)2-5)4-16-19(17,18)9(13,14)15/h3,5-7,16H,1-2,4H2
InChIKeyZRJHZNBGPNTPPN-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.70
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide (CID 59017049) is 1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide is O=S(=O)(NCC1CC2C=C([Si](Cl)(Cl)Cl)C1C2)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide?
The InChIKey is ZRJHZNBGPNTPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl3F3NO2SSi/c10-20(11,12)8-3-5-1-6(7(8)2-5)4-16-19(17,18)9(13,14)15/h3,5-7,16H,1-2,4H2.
What are the key properties of 1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide?
1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide has a molecular weight of 388.70 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(6-trichlorosilyl-2-bicyclo[2.2.1]hept-5-enyl)methyl]methanesulfonamide is sourced from PubChem (CID 59017049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).