bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane

C12H5ClF27NO18S9 — CID 171932746

About bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane

bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane (PubChem CID 171932746) has the molecular formula C12H5ClF27NO18S9 and a molecular weight of 1288.16 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane.

Molecular Properties

• Compound Name: bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane
• PubChem CID: 171932746
• Molecular Formula: C12H5ClF27NO18S9
• Molecular Weight: 1288.16 g/mol
• Exact Mass: 1286.63
• IUPAC Name: bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane
• SMILES: O=S(=O)(C(Cl)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(CS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C4HF9O6S3.C3HClF6O4S2.C3H2F6O4S2.C2HF6NO4S2/c5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;4-1(15(11,12)2(5,6)7)16(13,14)3(8,9)10;4-2(5,6)14(10,11)1-15(12,13)3(7,8)9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1H;1H;1H2;9H
• InChIKey: SYVDSEJIRWIQGO-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 319.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1288.16
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane?

The IUPAC name of bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane (CID 171932746) is bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane.

What is the SMILES notation for bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane?

The canonical SMILES for bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane is O=S(=O)(C(Cl)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(CS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.

What is the InChIKey of bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane?

The InChIKey is SYVDSEJIRWIQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O6S3.C3HClF6O4S2.C3H2F6O4S2.C2HF6NO4S2/c5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13;4-1(15(11,12)2(5,6)7)16(13,14)3(8,9)10;4-2(5,6)14(10,11)1-15(12,13)3(7,8)9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1H;1H;1H2;9H.

What are the key properties of bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane?

bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane has a molecular weight of 1288.16 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane is sourced from PubChem (CID 171932746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).