N-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride

C2H3F4NO4S2 — CID 58625655

IUPACN-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride
SMILESO=S(=O)(F)NS(=O)(=O)C(F)(F)CF
InChIInChI=1S/C2H3F4NO4S2/c3-1-2(4,5)12(8,9)7-13(6,10)11/h7H,1H2
InChIKeyUKSFPRBGBYNQAH-UHFFFAOYSA-N
MW245.17 g/mol
LogP-0.32
Rot. Bonds4

About N-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride

N-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride (PubChem CID 58625655) has the molecular formula C2H3F4NO4S2 and a molecular weight of 245.17 g/mol. Its IUPAC name is N-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride.

Molecular Properties

Compound NameN-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride
PubChem CID58625655
Molecular FormulaC2H3F4NO4S2
Molecular Weight245.17 g/mol
Exact Mass244.94
IUPAC NameN-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride
SMILESO=S(=O)(F)NS(=O)(=O)C(F)(F)CF
InChIInChI=1S/C2H3F4NO4S2/c3-1-2(4,5)12(8,9)7-13(6,10)11/h7H,1H2
InChIKeyUKSFPRBGBYNQAH-UHFFFAOYSA-N
XLogP-0.32
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride?
The IUPAC name of N-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride (CID 58625655) is N-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride.
What is the SMILES notation for N-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride?
The canonical SMILES for N-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride is O=S(=O)(F)NS(=O)(=O)C(F)(F)CF.
What is the InChIKey of N-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride?
The InChIKey is UKSFPRBGBYNQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F4NO4S2/c3-1-2(4,5)12(8,9)7-13(6,10)11/h7H,1H2.
What are the key properties of N-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride?
N-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride has a molecular weight of 245.17 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride is sourced from PubChem (CID 58625655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).