N-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride

C4H8F6N2O4S2 — CID 118659695

IUPACN-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
SMILESCNC.O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C2HF6NO4S2.C2H7N/c3-1(4,5)2(6,7)14(10,11)9-15(8,12)13;1-3-2/h9H;3H,1-2H3
InChIKeyIUXRGRUSARQQET-UHFFFAOYSA-N
MW326.24 g/mol
LogP0.11
Rot. Bonds3

About N-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride

N-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride (PubChem CID 118659695) has the molecular formula C4H8F6N2O4S2 and a molecular weight of 326.24 g/mol. Its IUPAC name is N-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride.

Molecular Properties

Compound NameN-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
PubChem CID118659695
Molecular FormulaC4H8F6N2O4S2
Molecular Weight326.24 g/mol
Exact Mass325.98
IUPAC NameN-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
SMILESCNC.O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C2HF6NO4S2.C2H7N/c3-1(4,5)2(6,7)14(10,11)9-15(8,12)13;1-3-2/h9H;3H,1-2H3
InChIKeyIUXRGRUSARQQET-UHFFFAOYSA-N
XLogP0.11
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride?
The IUPAC name of N-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride (CID 118659695) is N-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride.
What is the SMILES notation for N-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride?
The canonical SMILES for N-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride is CNC.O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride?
The InChIKey is IUXRGRUSARQQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF6NO4S2.C2H7N/c3-1(4,5)2(6,7)14(10,11)9-15(8,12)13;1-3-2/h9H;3H,1-2H3.
What are the key properties of N-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride?
N-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride has a molecular weight of 326.24 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride is sourced from PubChem (CID 118659695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).