bis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane

C12H4ClF27NO18S9- — CID 157217253

IUPACbis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane
SMILESO=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)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF9O6S3.C3HClF6O4S2.C3H2F6O4S2.C2F6NO4S2/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;/q;;;-1
InChIKeyASOIUXQHWFEEIJ-UHFFFAOYSA-N
MW1287.16 g/mol
LogP4.32
Rot. Bonds9

About bis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane

bis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane (PubChem CID 157217253) has the molecular formula C12H4ClF27NO18S9- and a molecular weight of 1287.16 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane
PubChem CID157217253
Molecular FormulaC12H4ClF27NO18S9-
Molecular Weight1287.16 g/mol
Exact Mass1285.62
IUPAC Namebis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane
SMILESO=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)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4HF9O6S3.C3HClF6O4S2.C3H2F6O4S2.C2F6NO4S2/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;/q;;;-1
InChIKeyASOIUXQHWFEEIJ-UHFFFAOYSA-N
XLogP4.32
TPSA321.36 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001287.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane (CID 157217253) is bis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;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)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane?
The InChIKey is ASOIUXQHWFEEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O6S3.C3HClF6O4S2.C3H2F6O4S2.C2F6NO4S2/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;/q;;;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane?
bis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane has a molecular weight of 1287.16 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane;[chloro(trifluoromethylsulfonyl)methyl]sulfonyl-trifluoromethane;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane is sourced from PubChem (CID 157217253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).